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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyDeoxyspergualin
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Deoxyspergualin
- Accession Number
- DB12991
- Type
- Small Molecule
- Groups
- Investigational
- Description
Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.
- Structure
Structure for DB12991 (Deoxyspergualin)
- Synonyms
- Not Available
- Categories
- UNII
- 57F9XM233R
- CAS number
- 89149-10-0
- Weight
- Average: 387.529
Monoisotopic: 387.295788079 - Chemical Formula
- C17H37N7O3
- InChI Key
- IDINUJSAMVOPCM-INIZCTEOSA-N
- InChI
- InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1
- IUPAC Name
- N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide
- SMILES
- NCCCNCCCCNC(=O)[[email protected]](O)NC(=O)CCCCCCNC(N)=N
Pharmacology
- Indication
- Not Available
- Structured Indications
- Not Available
- Pharmacodynamics
- Not Available
- Mechanism of action
- Not Available
- Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half life
- Not Available
- Clearance
- Not Available
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction Drug group Acetyldigitoxin Acetyldigitoxin may decrease the cardiotoxic activities of Deoxyspergualin. Approved Acetyldigoxin Acetyldigoxin may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Ancestim The risk or severity of cytotoxicity can be increased when Ancestim is combined with Deoxyspergualin. Approved, Investigational, Withdrawn Anthrax immune globulin human The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Anthrax immune globulin human. Approved Aripiprazole The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Aripiprazole. Approved, Investigational Arsenic trioxide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Arsenic trioxide. Approved, Investigational Articaine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Articaine. Approved Asenapine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Asenapine. Approved Atazanavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Atazanavir. Approved, Investigational Bacillus calmette-guerin substrain connaught live antigen The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Bacillus calmette-guerin substrain connaught live antigen. Approved, Investigational Bacillus calmette-guerin substrain tice live antigen The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Bacillus calmette-guerin substrain tice live antigen. Approved BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Deoxyspergualin. Investigational Bendroflumethiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Bendroflumethiazide. Approved Betamethasone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Betamethasone. Approved, Vet Approved Bevacizumab Bevacizumab may increase the cardiotoxic activities of Deoxyspergualin. Approved, Investigational Brexpiprazole The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Brexpiprazole. Approved, Investigational Bumetanide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Bumetanide. Approved Buserelin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Buserelin. Approved, Investigational Cabazitaxel The risk or severity of adverse effects can be increased when Cabazitaxel is combined with Deoxyspergualin. Approved Ceritinib The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ceritinib. Approved Chlorothiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Chlorothiazide. Approved, Vet Approved Chlorpropamide Deoxyspergualin may increase the hypoglycemic activities of Chlorpropamide. Approved, Investigational Chlorthalidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Chlorthalidone. Approved Clostridium tetani toxoid antigen (formaldehyde inactivated) The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Clostridium tetani toxoid antigen (formaldehyde inactivated). Approved Clozapine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Clozapine. Approved Corticotropin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Corticotropin. Approved, Investigational, Vet Approved Cortisone acetate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cortisone acetate. Approved, Investigational Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated) The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated). Approved Cyclopenthiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cyclopenthiazide. Experimental Cyclophosphamide Cyclophosphamide may increase the cardiotoxic activities of Deoxyspergualin. Approved, Investigational Cymarin Cymarin may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Cyproterone acetate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cyproterone acetate. Approved, Investigational Dabrafenib The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dabrafenib. Approved, Investigational Danazol The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Danazol. Approved Darunavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Darunavir. Approved Denosumab The risk or severity of adverse effects can be increased when Denosumab is combined with Deoxyspergualin. Approved Deslanoside Deslanoside may decrease the cardiotoxic activities of Deoxyspergualin. Approved Desogestrel The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Desogestrel. Approved Dexamethasone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dexamethasone. Approved, Investigational, Vet Approved Diazoxide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Diazoxide. Approved Dienogest The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dienogest. Approved Digitoxin Digitoxin may decrease the cardiotoxic activities of Deoxyspergualin. Approved, Investigational Digoxin Digoxin may decrease the cardiotoxic activities of Deoxyspergualin. Approved Digoxin Immune Fab (Ovine) Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Deoxyspergualin. Approved Disopyramide Deoxyspergualin may increase the hypoglycemic activities of Disopyramide. Approved Docetaxel The risk or severity of adverse effects can be increased when Docetaxel is combined with Deoxyspergualin. Approved, Investigational Drospirenone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Drospirenone. Approved Epinephrine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Epinephrine. Approved, Vet Approved Epitizide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Epitizide. Experimental Estradiol The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Estradiol. Approved, Investigational, Vet Approved Estrone sulfate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Estrone sulfate. Approved Etacrynic acid The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Etacrynic acid. Approved, Investigational Ethinyl Estradiol The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ethinyl Estradiol. Approved Ethynodiol diacetate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ethynodiol diacetate. Approved Etonogestrel The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Etonogestrel. Approved, Investigational Everolimus The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Everolimus. Approved Fingolimod Deoxyspergualin may increase the immunosuppressive activities of Fingolimod. Approved, Investigational Fludrocortisone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Fludrocortisone. Approved, Investigational Fosamprenavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Fosamprenavir. Approved Furosemide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Furosemide. Approved, Vet Approved G17DT The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with G17DT. Investigational GI-5005 The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with GI-5005. Investigational Gitoformate Gitoformate may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Gliclazide Deoxyspergualin may increase the hypoglycemic activities of Gliclazide. Approved Glimepiride Deoxyspergualin may increase the hypoglycemic activities of Glimepiride. Approved Glipizide Deoxyspergualin may increase the hypoglycemic activities of Glipizide. Approved, Investigational Glyburide Deoxyspergualin may increase the hypoglycemic activities of Glyburide. Approved Goserelin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Goserelin. Approved Hepatitis A Vaccine The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Hepatitis A Vaccine. Approved Hepatitis B Vaccine (Recombinant) The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Hepatitis B Vaccine (Recombinant). Approved, Withdrawn Histrelin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Histrelin. Approved Human rabies virus immune globulin The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Human rabies virus immune globulin. Approved Hydrochlorothiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydrochlorothiazide. Approved, Vet Approved Hydrocortisone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydrocortisone. Approved, Vet Approved Hydroflumethiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydroflumethiazide. Approved, Investigational Hydroxyprogesterone caproate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydroxyprogesterone caproate. Approved, Investigational Iloperidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Iloperidone. Approved Indapamide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Indapamide. Approved Indinavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Indinavir. Approved INGN 201 The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with INGN 201. Investigational INGN 225 The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with INGN 225. Investigational Insulin Aspart Deoxyspergualin may increase the hypoglycemic activities of Insulin Aspart. Approved Insulin Detemir Deoxyspergualin may increase the hypoglycemic activities of Insulin Detemir. Approved Insulin Glargine Deoxyspergualin may increase the hypoglycemic activities of Insulin Glargine. Approved Insulin Glulisine Deoxyspergualin may increase the hypoglycemic activities of Insulin Glulisine. Approved Insulin Human Deoxyspergualin may increase the hypoglycemic activities of Insulin Human. Approved, Investigational Insulin Lispro Deoxyspergualin may increase the hypoglycemic activities of Insulin Lispro. Approved Japanese encephalitis virus strain sa 14-14-2 antigen (formaldehyde inactivated) The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Japanese encephalitis virus strain sa 14-14-2 antigen (formaldehyde inactivated). Approved Lanatoside C Lanatoside C may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Lanreotide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lanreotide. Approved Leflunomide The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Leflunomide. Approved, Investigational Leuprolide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Leuprolide. Approved, Investigational Levonorgestrel The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Levonorgestrel. Approved, Investigational Lipoic Acid Lipoic Acid may increase the hypoglycemic activities of Deoxyspergualin. Approved, Investigational, Nutraceutical Lopinavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lopinavir. Approved Lurasidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lurasidone. Approved, Investigational Mecasermin Deoxyspergualin may increase the hypoglycemic activities of Mecasermin. Approved, Investigational Medrogestone The serum concentration of Deoxyspergualin can be decreased when it is combined with Medrogestone. Approved Medroxyprogesterone acetate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Medroxyprogesterone acetate. Approved, Investigational Megestrol acetate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Megestrol acetate. Approved, Investigational, Vet Approved Mestranol The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Mestranol. Approved Methotrimeprazine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methotrimeprazine. Approved, Investigational Methyclothiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methyclothiazide. Approved Methylprednisolone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methylprednisolone. Approved, Vet Approved Metildigoxin Metildigoxin may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Metolazone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Metolazone. Approved Mifepristone Deoxyspergualin may increase the hypoglycemic activities of Mifepristone. Approved, Investigational Natalizumab The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Natalizumab. Approved, Investigational Nateglinide Deoxyspergualin may increase the hypoglycemic activities of Nateglinide. Approved, Investigational Nelfinavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Nelfinavir. Approved Niacin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Niacin. Approved, Investigational, Nutraceutical Nilotinib The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Nilotinib. Approved, Investigational Norethisterone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Norethisterone. Approved Norgestimate The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Norgestimate. Approved, Investigational Ocrelizumab Ocrelizumab may increase the immunosuppressive activities of Deoxyspergualin. Approved, Investigational Octreotide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Octreotide. Approved, Investigational Olanzapine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Olanzapine. Approved, Investigational Oleandrin Oleandrin may decrease the cardiotoxic activities of Deoxyspergualin. Experimental, Investigational Ouabain Ouabain may decrease the cardiotoxic activities of Deoxyspergualin. Approved Paclitaxel The risk or severity of adverse effects can be increased when Paclitaxel is combined with Deoxyspergualin. Approved, Vet Approved Paliperidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Paliperidone. Approved Pasireotide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pasireotide. Approved Pentamidine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pentamidine. Approved, Investigational Peruvoside Peruvoside may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Pimecrolimus The risk or severity of adverse effects can be increased when Pimecrolimus is combined with Deoxyspergualin. Approved, Investigational Piperazine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Piperazine. Approved, Vet Approved Pipotiazine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pipotiazine. Approved, Investigational Polythiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Polythiazide. Approved Prednisolone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Prednisolone. Approved, Vet Approved Prednisone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Prednisone. Approved, Vet Approved Pregabalin The risk or severity of heart failure can be increased when Pregabalin is combined with Deoxyspergualin. Approved, Illicit, Investigational Progesterone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Progesterone. Approved, Vet Approved Proscillaridin Proscillaridin may decrease the cardiotoxic activities of Deoxyspergualin. Experimental Quetiapine The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Quetiapine. Approved Quinethazone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Quinethazone. Approved Quinine Deoxyspergualin may increase the hypoglycemic activities of Quinine. Approved Rabies virus inactivated antigen, A The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Rabies virus inactivated antigen, A. Approved, Investigational Rabies virus inactivated antigen, A The therapeutic efficacy of Rabies virus inactivated antigen, A can be decreased when used in combination with Deoxyspergualin. Approved, Investigational Repaglinide Deoxyspergualin may increase the hypoglycemic activities of Repaglinide. Approved, Investigational Rindopepimut The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Rindopepimut. Investigational Risperidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Risperidone. Approved, Investigational Ritonavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ritonavir. Approved, Investigational Roflumilast Roflumilast may increase the immunosuppressive activities of Deoxyspergualin. Approved Rotavirus Vaccine The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Rotavirus Vaccine. Approved Rubella virus vaccine The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Rubella virus vaccine. Approved, Investigational Salmonella typhi ty2 vi polysaccharide antigen The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Salmonella typhi ty2 vi polysaccharide antigen. Approved Salmonella typhi ty21a live antigen The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Salmonella typhi ty21a live antigen. Approved Saquinavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Saquinavir. Approved, Investigational Sipuleucel-T The therapeutic efficacy of Sipuleucel-T can be decreased when used in combination with Deoxyspergualin. Approved, Investigational Sirolimus The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Sirolimus. Approved, Investigational SRP 299 The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with SRP 299. Investigational Sulfadiazine Deoxyspergualin may increase the hypoglycemic activities of Sulfadiazine. Approved, Investigational, Vet Approved Sulfamethoxazole Deoxyspergualin may increase the hypoglycemic activities of Sulfamethoxazole. Approved Sulfisoxazole Deoxyspergualin may increase the hypoglycemic activities of Sulfisoxazole. Approved, Vet Approved Sunitinib Deoxyspergualin may increase the hypoglycemic activities of Sunitinib. Approved, Investigational Tacrolimus Tacrolimus may increase the immunosuppressive activities of Deoxyspergualin. Approved, Investigational Tecemotide The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Tecemotide. Investigational Temsirolimus The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Temsirolimus. Approved TG4010 The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with TG4010. Investigational Tipranavir The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Tipranavir. Approved, Investigational Tofacitinib Deoxyspergualin may increase the immunosuppressive activities of Tofacitinib. Approved, Investigational Tolazamide Deoxyspergualin may increase the hypoglycemic activities of Tolazamide. Approved, Investigational Tolbutamide Deoxyspergualin may increase the hypoglycemic activities of Tolbutamide. Approved, Investigational Torasemide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Torasemide. Approved Trastuzumab Trastuzumab may increase the cardiotoxic activities of Deoxyspergualin. Approved, Investigational Triamcinolone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Triamcinolone. Approved, Vet Approved Trichlormethiazide The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Trichlormethiazide. Approved, Vet Approved Triptorelin The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Triptorelin. Approved, Vet Approved Ubidecarenone The therapeutic efficacy of Deoxyspergualin can be increased when used in combination with Ubidecarenone. Approved, Investigational, Nutraceutical Varicella Zoster Vaccine (Live/Attenuated) The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Varicella Zoster Vaccine (Live/Attenuated). Approved Vorinostat The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Vorinostat. Approved, Investigational Yellow Fever Vaccine The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Yellow Fever Vaccine. Approved, Investigational Ziprasidone The therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ziprasidone. Approved - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- PubChem Compound
- 91272
- PubChem Substance
- 347829130
- ChemSpider
- 82420
- ChEMBL
- CHEMBL1172736
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Completed Treatment Nephritis, Lupus 1 2 Completed Treatment Diabetes, Diabetes Mellitus Type 1 1 Not Available Terminated Treatment Chronic Rejection 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.129 mg/mL ALOGPS logP -0.89 ALOGPS logP -3.1 ChemAxon logS -3.5 ALOGPS pKa (Strongest Acidic) 11.37 ChemAxon pKa (Strongest Basic) 12.28 ChemAxon Physiological Charge 3 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 8 ChemAxon Polar Surface Area 178.38 Å2 ChemAxon Rotatable Bond Count 17 ChemAxon Refractivity 115.75 m3·mol-1 ChemAxon Polarizability 44.71 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids and derivatives
- Alternative Parents
- Alpha amino acid amides / N-acyl amines / Secondary carboxylic acid amides / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Dialkylamines / Carboximidamides / Alkanolamines / Organopnictogen compounds / Organic oxides show 3 more
- Substituents
- N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Fatty amide / N-acyl-amine / Fatty acyl / Carboxamide group / Guanidine / Secondary carboxylic acid amide / Alkanolamine / Secondary aliphatic amine show 16 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
Drug created on October 20, 2016 19:49 / Updated on March 02, 2018 04:18