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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11N5O3S2
Molecular Weight 313.356
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-TACA

SMILES

[H][C@]12SCC(CSC3=CNN=N3)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=MLOZJRLUNNFSGD-HZGVNTEJSA-N
InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H11N5O3S2
Molecular Weight 313.356
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 Dec 16 12:45:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:36 GMT 2023
Record UNII
THX5266WJ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-TACA
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-8-OXO-3-((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)-, (6R-TRANS)-
Systematic Name English
7-ACA triazole
Common Name English
(6R-TRANS)-7-AMINO-8-OXO-3-((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)-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, 7-AMINO-8-OXO-3-((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)-, (6R,7R)-
Systematic Name English
7-AMINO-3-(1,2,3-TRIAZOL-4-YLTHIO)METHYL CEPHALOSPORANIC ACID
Common Name English
CEFATRIZINE PROPYLENE GLYCOL IMPURITY A [EP IMPURITY]
Common Name English
7-AMINO-3-(1,2,3-TRIAZOL-5-YLTHIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACID
Common Name English
CEFOPERAZONE SODIUM IMPURITY D [EP IMPURITY]
Common Name English
(6R,7R)-7-AMINO-8-OXO-3-((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
THX5266WJ5
Created by admin on Sat Dec 16 12:45:37 GMT 2023 , Edited by admin on Sat Dec 16 12:45:37 GMT 2023
PRIMARY
CAS
37539-03-0
Created by admin on Sat Dec 16 12:45:37 GMT 2023 , Edited by admin on Sat Dec 16 12:45:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-547-4
Created by admin on Sat Dec 16 12:45:37 GMT 2023 , Edited by admin on Sat Dec 16 12:45:37 GMT 2023
PRIMARY
PUBCHEM
6400459
Created by admin on Sat Dec 16 12:45:37 GMT 2023 , Edited by admin on Sat Dec 16 12:45:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID80190978
Created by admin on Sat Dec 16 12:45:37 GMT 2023 , Edited by admin on Sat Dec 16 12:45:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY