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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N8O9S3
Molecular Weight 638.653
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ATA CEFOTAXIME

SMILES

[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CSC(NC(=O)C(=N/OC)\C4=CSC(N)=N4)=N3)C(O)=O

InChI

InChIKey=DMQLPZRNCVTSTP-LGFHRFDQSA-N
InChI=1S/C22H22N8O9S3/c1-8(31)39-4-9-5-40-19-14(18(34)30(19)15(9)20(35)36)26-16(32)13(29-38-3)11-7-42-22(25-11)27-17(33)12(28-37-2)10-6-41-21(23)24-10/h6-7,14,19H,4-5H2,1-3H3,(H2,23,24)(H,26,32)(H,35,36)(H,25,27,33)/b28-12-,29-13-/t14-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22N8O9S3
Molecular Weight 638.653
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:43:59 UTC 2023
Edited
by admin
on Sat Dec 16 06:43:59 UTC 2023
Record UNII
I48ZW9LG54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATA CEFOTAXIME
Common Name English
CEFOTAXIME IMPURITY G [EP IMPURITY]
Common Name English
CEFOTAXIME SODIUM IMPURITY G [EP IMPURITY]
Common Name English
(6R,7R)-3-((ACETYLOXY)METHYL)-7-(((2Z)-2-(2-(((2Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL)AMINO)THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
CEFOTAXIME DIOXIME [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
I48ZW9LG54
Created by admin on Sat Dec 16 06:43:59 UTC 2023 , Edited by admin on Sat Dec 16 06:43:59 UTC 2023
PRIMARY
PUBCHEM
76972069
Created by admin on Sat Dec 16 06:43:59 UTC 2023 , Edited by admin on Sat Dec 16 06:43:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP