7-Aminodesacetoxycephalosporanic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
7-Aminodesacetoxycephalosporanic acid
Accession Number
DB14107
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • 3-methyl-7-amino-Δ3-cephem-4-carboxylic acid
  • 3-methyl-7-aminoceph-3-em-4-carboxylic acid
  • 7-ADCA
  • 7-amino-3-methyl-3-cephem-4-carboxylic acid
  • 7beta-aminodeacetoxycephalosporanic acid
  • 7β-aminodeacetoxycephalosporanic acid
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Thera Derm7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Levomenthol (13 mg/240mg) + Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + Peppermint oil (13 mg/240mg)LotionTopicalManna Omni International Incorporated2017-10-31Not applicableUs
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Thera Derm7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Levomenthol (13 mg/240mg) + Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + Peppermint oil (13 mg/240mg)LotionTopicalManna Omni International Incorporated2017-10-31Not applicableUs
Categories
UNII
ANM3MSM8TN
CAS number
22252-43-3
Weight
Average: 214.24
Monoisotopic: 214.041213364
Chemical Formula
C8H10N2O3S
InChI Key
NVIAYEIXYQCDAN-CLZZGJSISA-N
InChI
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
IUPAC Name
(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2N)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Not Available
Food Interactions
Not Available

References

General References
  1. El-Ghaiesh S, Monshi MM, Whitaker P, Jenkins R, Meng X, Farrell J, Elsheikh A, Peckham D, French N, Pirmohamed M, Park BK, Naisbitt DJ: Characterization of the antigen specificity of T-cell clones from piperacillin-hypersensitive patients with cystic fibrosis. J Pharmacol Exp Ther. 2012 Jun;341(3):597-610. doi: 10.1124/jpet.111.190900. Epub 2012 Feb 27. [PubMed:22371438]
External Links
ChemSpider
30911
ChEBI
64984
ChEMBL
CHEMBL3182744

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
LotionTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility15.8 mg/mLALOGPS
logP-1.1ALOGPS
logP-3ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.42ChemAxon
pKa (Strongest Basic)7.39ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.63 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity51.81 m3·mol-1ChemAxon
Polarizability20.47 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on June 21, 2018 10:51 / Updated on May 01, 2019 11:57