Carumonam

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
Carumonam
Accession Number
DB13553
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Carumonam
Categories
UNII
486890PI06
CAS number
87638-04-8
Weight
Average: 466.4
Monoisotopic: 466.021283023
Chemical Formula
C12H14N6O10S2
InChI Key
UIMOJFJSJSIGLV-JNHMLNOCSA-N
InChI
InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1
IUPAC Name
2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}acetic acid
SMILES
NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O

Pharmacology

Indication
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
5022832
ChEBI
55486
ChEMBL
CHEMBL1614658
Wikipedia
Carumonam
ATC Codes
J01DF02 — Carumonam

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.318 mg/mLALOGPS
logP-1.3ALOGPS
logP-3.9ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)-1.9ChemAxon
pKa (Strongest Basic)3.09ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area253.9 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity93.15 m3·mol-1ChemAxon
Polarizability40.34 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
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

Description
This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Lactams
Sub Class
Beta lactams
Direct Parent
Monobactams
Alternative Parents
N-acyl-alpha amino acids and derivatives / 2,4-disubstituted thiazoles / 2-amino-1,3-thiazoles / Organic sulfuric acids and derivatives / Heteroaromatic compounds / Carbamate esters / Secondary carboxylic acid amides / Amino acids / Organic carbonic acids and derivatives / Azetidines
show 8 more
Substituents
Monobactam / N-acyl-alpha amino acid or derivatives / Alpha-amino acid or derivatives / 2,4-disubstituted 1,3-thiazole / 1,3-thiazol-2-amine / Azole / Organic sulfuric acid or derivatives / Thiazole / Carbamic acid ester / Heteroaromatic compound
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
monobactam (CHEBI:55486)

Drug created on June 23, 2017 14:44 / Updated on June 04, 2019 07:55