U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14N8O4S3
Molecular Weight 454.511
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6R,7S)-7-(2-(1H-TETRAZOL-1-YL)ACETAMIDO)-3-((5-METHYL-1,3,4-THIADIAZOL-2-YLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

SMILES

Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@]([H])([C@@]3([H])SC2)N=C(Cn4cnnn4)O)s1

InChI

InChIKey=MLYYVTUWGNIJIB-JOYOIKCWSA-N
InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H14N8O4S3
Molecular Weight 454.511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:04:41 UTC 2021
Edited
by admin
on Sat Jun 26 08:04:41 UTC 2021
Record UNII
99WEP8G7DP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7S)-7-(2-(1H-TETRAZOL-1-YL)ACETAMIDO)-3-((5-METHYL-1,3,4-THIADIAZOL-2-YLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
CEFAZOLIN EPIMER [USP]
Common Name English
CEFAZOLIN EPIMER
Common Name English
Code System Code Type Description
FDA UNII
99WEP8G7DP
Created by admin on Sat Jun 26 08:04:41 UTC 2021 , Edited by admin on Sat Jun 26 08:04:41 UTC 2021
PRIMARY
PUBCHEM
7048624
Created by admin on Sat Jun 26 08:04:41 UTC 2021 , Edited by admin on Sat Jun 26 08:04:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP