VERLUKAST SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H26ClN2O3S2.Na
Molecular Weight	537.069
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CN(C)C(=O)CCS[C@H](SCCC([O-])=O)C1=CC(\C=C\C2=NC3=CC(Cl)=CC=C3C=C2)=CC=C1

InChI

InChIKey=XNAYQOBPAXEYLI-LQKFMROPSA-M

InChI=1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;/t26-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C26H26ClN2O3S2
Molecular Weight	514.079
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:21 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:21 UTC 2023`
Record UNII	Q8W8588793
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VERLUKAST SODIUM

Common Name

English

MK-0679 SODIUM SALT

Common Name

English

PROPANOIC ACID, 3-(((3-(2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)((3-(DIMETHYLAMINO)-3-OXOPROPYL)THIO)METHYL)THIO)-, SODIUM SALT, (R-(E))-

Systematic Name

English

5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID SODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

Q8W8588793

Created by admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023

PRIMARY

CAS

162377-77-7

Created by admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023

PRIMARY

PUBCHEM

44322990

Created by admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023

PRIMARY

Related Record Type Details


					5Q9O54P0H7

VERLUKAST

PARENT -> SALT/SOLVATE

Related Record Type Details


					5Q9O54P0H7

VERLUKAST

ACTIVE MOIETY