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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N6O6S3
Molecular Weight 408.434
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(2-HYDROXY-2-PHENYL-ACETYL)CEFONICID

SMILES

[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=ATMROFNURATUIQ-SVGQVSJJSA-N
InChI=1S/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)/t5-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DES(2-HYDROXY-2-PHENYL-ACETYL)CEFONICID
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-8-OXO-3-(((1-(SULFOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-, (6R,7R)-
Systematic Name English
(6R,7R)-7-AMINO-8-OXO-3-(((1-(SULFOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULFOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
GWX2BS8Y4O
Created by admin on Sat Dec 16 12:20:55 GMT 2023 , Edited by admin on Sat Dec 16 12:20:55 GMT 2023
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PUBCHEM
6454149
Created by admin on Sat Dec 16 12:20:55 GMT 2023 , Edited by admin on Sat Dec 16 12:20:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID20210169
Created by admin on Sat Dec 16 12:20:55 GMT 2023 , Edited by admin on Sat Dec 16 12:20:55 GMT 2023
PRIMARY
CAS
61270-71-1
Created by admin on Sat Dec 16 12:20:55 GMT 2023 , Edited by admin on Sat Dec 16 12:20:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-682-8
Created by admin on Sat Dec 16 12:20:55 GMT 2023 , Edited by admin on Sat Dec 16 12:20:55 GMT 2023
PRIMARY