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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12F3N6O4S3.Na
Molecular Weight 492.452
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFAZAFLUR SODIUM

SMILES

[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)CSC(F)(F)F)C([O-])=O

InChI

InChIKey=OTPDSOBPIAYYBT-YZUKSGEXSA-M
InChI=1S/C13H13F3N6O4S3.Na/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16;/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26);/q;+1/p-1/t7-,10-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H12F3N6O4S3
Molecular Weight 469.462
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:16:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:16:31 UTC 2023
Record UNII
8NJ5RWV39D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFAZAFLUR SODIUM
USAN  
USAN  
Official Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-7-((((TRIFLUOROMETHYL)THIO)ACETYL)AMINO)-, MONOSODIUM SALT (6R-TRANS)-
Common Name English
CEFAZAFLUR SODIUM [USAN]
Common Name English
SK&F 59962
Code English
SK&F-59962
Code English
Sodium (6R,7R)-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[2-[(trifluoromethyl)thio]acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C357
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C81028
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
PUBCHEM
23702658
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
FDA UNII
8NJ5RWV39D
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
SMS_ID
100000174165
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
CAS
52123-49-6
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110623
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID50966480
Created by admin on Fri Dec 15 15:16:31 UTC 2023 , Edited by admin on Fri Dec 15 15:16:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY