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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClN2O7S2
Molecular Weight 468.888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DIKETOSITAXENTAN

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)C(=O)C3=CC4=C(OCO4)C=C3C)=C1Cl

InChI

InChIKey=DRTWGOOZUPWRNM-UHFFFAOYSA-N
InChI=1S/C18H13ClN2O7S2/c1-8-5-11-12(27-7-26-11)6-10(8)15(22)16(23)17-13(3-4-29-17)30(24,25)21-18-14(19)9(2)20-28-18/h3-6,21H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H13ClN2O7S2
Molecular Weight 468.888
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:08:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:08:30 GMT 2023
Record UNII
G89962M5AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DIKETOSITAXENTAN
Common Name English
N-(4-CHLORO-3-METHYL-ISOXAZOL-5-YL)-2-(2-(6-METHYL-1,3-BENZODIOXOL-5-YL)-2-OXO-ACETYL)THIOPHENE-3-SULFONAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
G89962M5AF
Created by admin on Sat Dec 16 15:08:30 GMT 2023 , Edited by admin on Sat Dec 16 15:08:30 GMT 2023
PRIMARY
PUBCHEM
156613698
Created by admin on Sat Dec 16 15:08:30 GMT 2023 , Edited by admin on Sat Dec 16 15:08:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE