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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12N6O4S
Molecular Weight 324.316
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFAZOLIN 3-METHYL ANALOG

SMILES

[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CN3C=NN=N3)C(O)=O

InChI

InChIKey=DGYURGWZOSQCFG-GMSGAONNSA-N
InChI=1S/C11H12N6O4S/c1-5-3-22-10-7(9(19)17(10)8(5)11(20)21)13-6(18)2-16-4-12-14-15-16/h4,7,10H,2-3H2,1H3,(H,13,18)(H,20,21)/t7-,10-/m1/s1

HIDE SMILES / InChI
Molecular Formula C11H12N6O4S
Molecular Weight 324.316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:51:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:51:23 GMT 2023
Record UNII
PGB16683CG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFAZOLIN 3-METHYL ANALOG
Common Name English
7-(1-(1H)-TETRAZOLYLACETAMIDO)DESACETOXYCEPHALOSPORANIC ACID
Systematic Name English
(6R,7R)-7-(2-(1H-TETRAZOL-1-YL)ACETAMIDO)-3-METHYL-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-METHYL-8-OXO-7-((1H-TETRAZOL-1-YLACETYL)AMINO)-, (6R-TRANS)-
Systematic Name English
7-(1-(1H)-TETRAZOLYLACETAMIDO)DEACETOXYCEPHALOSPORANIC ACID
Systematic Name English
CEFAZOLIN SODIUM IMPURITY C [EP IMPURITY]
Common Name English
(6R,7R)-3-METHYL-8-OXO-7-((1H-TETRAZOL-1-YLACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
129010479
Created by admin on Sat Dec 16 10:51:23 GMT 2023 , Edited by admin on Sat Dec 16 10:51:23 GMT 2023
PRIMARY
CAS
56842-77-4
Created by admin on Sat Dec 16 10:51:23 GMT 2023 , Edited by admin on Sat Dec 16 10:51:23 GMT 2023
PRIMARY
FDA UNII
PGB16683CG
Created by admin on Sat Dec 16 10:51:23 GMT 2023 , Edited by admin on Sat Dec 16 10:51:23 GMT 2023
PRIMARY
Related Record Type Details
Structure of CEFAZOLIN SODIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of CEFAZOLIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CEFAZOLIN SODIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966