(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
- Molecular formula
- C7H7ClN2O3S
- Molar mass
- 234.65 g/mol
- Exact mass
- 233.9866 Da
- logP
- -0.24Crippen estimate
- Polar surface area
- 83.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Identifiers
CAS number
53994-69-7SMILES
N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12InChIKey
OQSAFIZCBAZPMY-AWFVSMACSA-NInChI
InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (6R-trans)-
- 7β-Amino-3-chloro-3-cephem-4-carboxylic acid
- 7-Amino-3-chloro-3-cephem-4-carboxylic acid
- 3-Chloro-7-amino-3-cephem-4-carboxylic acid
- 7-Amino-3-chlorocephalosporanic acid