P-NITROBENZYL 3-METHYLENE-7-(PHENOXYACETAMIDO)CEPHAM-4-CARBOXYLATE 1-OXIDE

Details

Stereochemistry	MIXED
Molecular Formula	C23H21N3O8S
Molecular Weight	499.493
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure of P-NITROBENZYL 3-METHYLENE-7-(PHENOXYACETAMIDO)CEPHAM-4-CARBOXYLATE 1-OXIDE

Structure Search

SMILES

[O-][S+]1CC(=C)C(N2[C@H]1[C@H](NC(=O)COC3=CC=CC=C3)C2=O)C(=O)OCC4=CC=C(C=C4)[N+]([O-])=O

InChI

InChIKey=HBKWKOGDTHDLLR-KVDBJTRHSA-N

InChI=1S/C23H21N3O8S/c1-14-13-35(32)22-19(24-18(27)12-33-17-5-3-2-4-6-17)21(28)25(22)20(14)23(29)34-11-15-7-9-16(10-8-15)26(30)31/h2-10,19-20,22H,1,11-13H2,(H,24,27)/t19-,20?,22-,35?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H21N3O8S
Molecular Weight	499.493
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:13:50 GMT 2025` Edited by `admin` on `Mon Mar 31 18:13:50 GMT 2025`
Record UNII	0UOR5G6CHT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

P-NITROBENZYL 3-METHYLENE-7-(PHENOXYACETAMIDO)CEPHAM-4-CARBOXYLATE 1-OXIDE

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCTANE-2-CARBOXYLIC ACID, 3-METHYLENE-8-OXO-7-((PHENOXYACETYL)AMINO)-, (4-NITROPHENYL)METHYL ESTER, 5-OXIDE, (6R,7R)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID90722406

Created by admin on Mon Mar 31 18:13:50 GMT 2025 , Edited by admin on Mon Mar 31 18:13:50 GMT 2025

PRIMARY

CAS

63427-57-6

Created by admin on Mon Mar 31 18:13:50 GMT 2025 , Edited by admin on Mon Mar 31 18:13:50 GMT 2025

PRIMARY

FDA UNII

0UOR5G6CHT

Created by admin on Mon Mar 31 18:13:50 GMT 2025 , Edited by admin on Mon Mar 31 18:13:50 GMT 2025

PRIMARY

PUBCHEM

12780259

Created by admin on Mon Mar 31 18:13:50 GMT 2025 , Edited by admin on Mon Mar 31 18:13:50 GMT 2025

PRIMARY