KT2-962

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 Search

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

Molecular Formula	C23H25ClNO5S2
Molecular Weight	495.031
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:09:44 GMT 2023` Edited by `admin` on `Sat Dec 16 11:09:44 GMT 2023`
Record UNII	W9F1S1H9LP
Record Status	`Validated (UNII)`
Record Version

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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

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