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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16N6O4S
Molecular Weight 388.401
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-(D-.ALPHA.-AMINOPHENYLACETAMIDO)-3-AZIDOMETHYL-3-CEPHEM-4-CARBOXYLIC ACID

SMILES

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

InChI

InChIKey=PDAWLDQRHZGWND-UEKVPHQBSA-N
InChI=1S/C16H16N6O4S/c17-10(8-4-2-1-3-5-8)13(23)20-11-14(24)22-12(16(25)26)9(6-19-21-18)7-27-15(11)22/h1-5,10-11,15H,6-7,17H2,(H,20,23)(H,25,26)/t10-,11-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N6O4S
Molecular Weight 388.401
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:53:31 GMT 2025
Edited
by admin
on Mon Mar 31 17:53:31 GMT 2025
Record UNII
81641T105J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(D-.ALPHA.-AMINOPHENYLACETAMIDO)-3-AZIDOMETHYL-3-CEPHEM-4-CARBOXYLIC ACID
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINOPHENYLACETYL)AMINO)-3-(AZIDOMETHYL)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*)))-
Preferred Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(2-AMINO-2-PHENYLACETAMIDO)-3-(AZIDOMETHYL)-8-OXO-, D-
Systematic Name English
Code System Code Type Description
FDA UNII
81641T105J
Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025
PRIMARY
PUBCHEM
117587620
Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025
PRIMARY
CAS
34181-93-6
Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025
PRIMARY