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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H12ClN3O5S.ClH
Molecular Weight 406.241
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 HYDROCHLORIDE

SMILES

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

InChI

InChIKey=QUSLYJRJAKKYQP-HTMVYDOJSA-N
InChI=1S/C14H12ClN3O5S.ClH/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;1H/t10-,13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C14H12ClN3O5S
Molecular Weight 369.78
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:54:24 GMT 2023
Edited
by admin
on Fri Dec 15 15:54:24 GMT 2023
Record UNII
UTO24D4W2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE HYDROCHLORIDE
Common Name English
4'-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE HYDROCHLORIDE
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, MONOHYDROCHLORIDE, (6R-TRANS)-
Systematic Name English
P-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE MONOHYDROCHLORIDE
Common Name English
7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLIC ACID, 4'-NITROBENZYL ESTER HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
6452834
Created by admin on Fri Dec 15 15:54:24 GMT 2023 , Edited by admin on Fri Dec 15 15:54:24 GMT 2023
PRIMARY
FDA UNII
UTO24D4W2W
Created by admin on Fri Dec 15 15:54:24 GMT 2023 , Edited by admin on Fri Dec 15 15:54:24 GMT 2023
PRIMARY
CAS
53483-70-8
Created by admin on Fri Dec 15 15:54:24 GMT 2023 , Edited by admin on Fri Dec 15 15:54:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID10201667
Created by admin on Fri Dec 15 15:54:24 GMT 2023 , Edited by admin on Fri Dec 15 15:54:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-580-8
Created by admin on Fri Dec 15 15:54:24 GMT 2023 , Edited by admin on Fri Dec 15 15:54:24 GMT 2023
PRIMARY
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