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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N6O6S
Molecular Weight 382.3535
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@]([H])([C@@]2([H])SC1)N=C(Cn3cnnn3)O

InChI

InChIKey=PIXMOMPJMIAMLJ-BXKDBHETSA-N
InChI=1S/C13H14N6O6S/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24)/t9-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H14N6O6S
Molecular Weight 382.3535
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 05:50:07 UTC 2021
Edited
by admin
on Sat Jun 26 05:50:07 UTC 2021
Record UNII
J0730018DF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7R)-7-(2-(1H-TETRAZOL-1-YL)ACETAMIDO)-3-(ACETOXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-8-OXO-7-((2-(1H-TETRAZOL-1-YL)ACETYL)AMINO)-, (6R,7R)-
Systematic Name English
7-(1H-TETRAZOL-1-YL)ACETAMIDOCELPHALOSPORANIC ACID
Systematic Name English
7-(1H-TETRAZOL-1-ACETAMIDO)CEPHALOSPORANIC ACID
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-8-OXO-7-((1H-TETRAZOL-1-YLACETYL)AMINO)-, (6R-TRANS)-
Systematic Name English
N-(TETRAZOLYLACETYL)-7-AMINOCEPHALOSPORIN
Common Name English
CEFAZOLIN ACETOXY ANALOG [USP]
Common Name English
Code System Code Type Description
FDA UNII
J0730018DF
Created by admin on Sat Jun 26 05:50:07 UTC 2021 , Edited by admin on Sat Jun 26 05:50:07 UTC 2021
PRIMARY
CAS
32510-61-5
Created by admin on Sat Jun 26 05:50:07 UTC 2021 , Edited by admin on Sat Jun 26 05:50:07 UTC 2021
PRIMARY
PUBCHEM
11740601
Created by admin on Sat Jun 26 05:50:07 UTC 2021 , Edited by admin on Sat Jun 26 05:50:07 UTC 2021
PRIMARY
ECHA (EC/EINECS)
251-075-3
Created by admin on Sat Jun 26 05:50:07 UTC 2021 , Edited by admin on Sat Jun 26 05:50:07 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP