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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N3O3S.Cl.ClH.2H2O
Molecular Weight 400.278
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(7-AMINOCEPHEM-3-EM-3-YLMETHYL)PYRIDINIUM-4-CARBOXYLATE DIHYDROCHLORIDE DIHYDRATE

SMILES

O.O.Cl.[Cl-].N[C@H]1[C@H]2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C(O)=O

InChI

InChIKey=KOZGTFBQRJLPCA-VUAFBSFLSA-N
InChI=1S/C13H13N3O3S.2ClH.2H2O/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15;;;;/h1-5,9,12H,6-7,14H2;2*1H;2*1H2/t9-,12-;;;;/m1..../s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-(7-AMINOCEPHEM-3-EM-3-YLMETHYL)PYRIDINIUM-4-CARBOXYLATE DIHYDROCHLORIDE DIHYDRATE
Common Name English
PYRIDINIUM, 1-(((6R,7R)-7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, CHLORIDE, HYDROCHLORIDE, HYDRATE (1:1:1:2)
Preferred Name English
PYRIDINIUM, 1-(((6R,7R)-7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, CHLORIDE, MONOHYDROCHLORIDE, DIHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
VDW03VFX7L
Created by admin on Mon Mar 31 18:00:39 GMT 2025 , Edited by admin on Mon Mar 31 18:00:39 GMT 2025
PRIMARY
PUBCHEM
134160087
Created by admin on Mon Mar 31 18:00:39 GMT 2025 , Edited by admin on Mon Mar 31 18:00:39 GMT 2025
PRIMARY
CAS
95896-68-7
Created by admin on Mon Mar 31 18:00:39 GMT 2025 , Edited by admin on Mon Mar 31 18:00:39 GMT 2025
PRIMARY
NIH
NCATS
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