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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN2O6S2
Molecular Weight 442.894
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-THIOPHENESULFONAMIDE, N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-(2-(4,5-DIHYDROXY-2-METHYLPHENYL)ACETYL)-

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=CC(O)=C(O)C=C3C)=C1Cl

InChI

InChIKey=KOCOSDIVSKAZIJ-UHFFFAOYSA-N
InChI=1S/C17H15ClN2O6S2/c1-8-5-11(21)12(22)6-10(8)7-13(23)16-14(3-4-27-16)28(24,25)20-17-15(18)9(2)19-26-17/h3-6,20-22H,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-THIOPHENESULFONAMIDE, N-(4-CHLORO-3-METHYL-5-ISOXAZOLYL)-2-(2-(4,5-DIHYDROXY-2-METHYLPHENYL)ACETYL)-
Systematic Name English
SITAXENTAN METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
Z8XG76J39S
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
CAS
1439124-01-2
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
PUBCHEM
71055563
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of SITAXENTAN
NIH
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