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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H12ClN3O5S
Molecular Weight 369.78
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE

SMILES

[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2N)C(=O)OCC3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=YLIOIMWNSIRKDG-ZWNOBZJWSA-N
InChI=1S/C14H12ClN3O5S/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22/h1-4,10,13H,5-6,16H2/t10-,13-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
P-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE
Common Name English
4'-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE
Common Name English
4-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-CHLORO-8-OXO-, (4-NITROPHENYL)METHYL ESTER, (6R,7R)-
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-CHLORO-8-OXO-, (4-NITROPHENYL)METHYL ESTER, (6R-TRANS)-
Systematic Name English
7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLIC ACID 4'-NITROBENZYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
NTE6XA63YE
Created by admin on Fri Dec 15 15:45:58 GMT 2023 , Edited by admin on Fri Dec 15 15:45:58 GMT 2023
PRIMARY
PUBCHEM
6452835
Created by admin on Fri Dec 15 15:45:58 GMT 2023 , Edited by admin on Fri Dec 15 15:45:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID401112593
Created by admin on Fri Dec 15 15:45:58 GMT 2023 , Edited by admin on Fri Dec 15 15:45:58 GMT 2023
PRIMARY
CAS
53994-83-5
Created by admin on Fri Dec 15 15:45:58 GMT 2023 , Edited by admin on Fri Dec 15 15:45:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-910-0
Created by admin on Fri Dec 15 15:45:58 GMT 2023 , Edited by admin on Fri Dec 15 15:45:58 GMT 2023
PRIMARY