MONTELUKAST BIS-SULFIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C41H46ClNO5S2
Molecular Weight	732.391
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(O)C1=C(CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC(=CC=C3)C(CC4=NC5=CC(Cl)=CC=C5C=C4)SCC6(CC(O)=O)CC6)C=CC=C1

InChI

InChIKey=SJNODSMYYCYZTO-RERZGLEZSA-N

InChI=1S/C41H46ClNO5S2/c1-39(2,48)33-9-4-3-6-27(33)12-15-35(49-25-40(16-17-40)23-37(44)45)29-7-5-8-30(20-29)36(50-26-41(18-19-41)24-38(46)47)22-32-14-11-28-10-13-31(42)21-34(28)43-32/h3-11,13-14,20-21,35-36,48H,12,15-19,22-26H2,1-2H3,(H,44,45)(H,46,47)/t35-,36?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H46ClNO5S2
Molecular Weight	732.391
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:37:53 GMT 2023` Edited by `admin` on `Sat Dec 16 18:37:53 GMT 2023`
Record UNII	G9YX74QVN3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONTELUKAST BIS-SULFIDE

Common Name

English

MONTELUKAST BIS-SULFIDE (MIXTURE OF DIASTEREOMERS)

Common Name

English

MONTELUKAST MICHAEL ADDUCT

Common Name

English

MONTELUKAST IMPURITY E

Common Name

English

CYCLOPROPANEACETIC ACID, 1-((((1R)-1-(3-(1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLORO-2-QUINOLINYL)ETHYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-

Systematic Name

English

1-((((1R)-1-(3-(1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLORO-2-QUINOLINYL)ETHYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

Systematic Name

English

Code System Code Type Description

CAS

1242260-05-4

Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023

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PUBCHEM

70702404

Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023

PRIMARY

EPA CompTox

DTXSID90743994

Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023

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FDA UNII

G9YX74QVN3

Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023

PRIMARY