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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClNO5S2.Na
Molecular Weight 518.021
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KT2-962

SMILES

[Na+].CC(C)C1=CC=C2C(CCCCNS(=O)(=O)C3=CC=C(Cl)C=C3)=CC(=C2C=C1)S([O-])(=O)=O

InChI

InChIKey=QIBQVFYOTMPEIP-UHFFFAOYSA-M
InChI=1S/C23H26ClNO5S2.Na/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20;/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
KT2-962
Common Name English
KT-2962
Code English
J343.474E
Code English
1-AZULENESULFONIC ACID, 3-(4-(((4-CHLOROPHENYL)SULFONYL)AMINO)BUTYL)-6-(1-METHYLETHYL)-, MONOSODIUM SALT
Systematic Name English
6-ISOPROPYL-3-(4-(4-CHLOROPHENYLSULFONYLAMINO)BUTYL)AZULENE-1-SULFONIC ACID SODIUM SALT
Systematic Name English
6-ISOPROPYL-3-(4-(P- CHLOROBENZENESULFONYLAMINO)-BUTYL)-AZULENE-1-SULFONIC ACID SODIUM SALT
Systematic Name English
Code System Code Type Description
FDA UNII
W9F1S1H9LP
Created by admin on Sat Dec 16 11:09:44 GMT 2023 , Edited by admin on Sat Dec 16 11:09:44 GMT 2023
PRIMARY
PUBCHEM
23661969
Created by admin on Sat Dec 16 11:09:44 GMT 2023 , Edited by admin on Sat Dec 16 11:09:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID40156212
Created by admin on Sat Dec 16 11:09:44 GMT 2023 , Edited by admin on Sat Dec 16 11:09:44 GMT 2023
PRIMARY
CAS
129648-96-0
Created by admin on Sat Dec 16 11:09:44 GMT 2023 , Edited by admin on Sat Dec 16 11:09:44 GMT 2023
PRIMARY