ZAFIRLUKAST M-TOLYL ISOMER

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N3O6S
Molecular Weight	575.675
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1CC2=CN(C)C3=CC=C(NC(=O)OC4CCCC4)C=C23)C(=O)NS(=O)(=O)C5=CC(C)=CC=C5

InChI

InChIKey=CXQBGQANHHFUKA-UHFFFAOYSA-N

InChI=1S/C31H33N3O6S/c1-20-7-6-10-26(15-20)41(37,38)33-30(35)22-12-11-21(29(17-22)39-3)16-23-19-34(2)28-14-13-24(18-27(23)28)32-31(36)40-25-8-4-5-9-25/h6-7,10-15,17-19,25H,4-5,8-9,16H2,1-3H3,(H,32,36)(H,33,35)

HIDE SMILES / InChI

Molecular Formula	C31H33N3O6S
Molecular Weight	575.675
Charge	0
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 11:50:12 GMT 2023` Edited by `admin` on `Sat Dec 16 11:50:12 GMT 2023`
Record UNII	EQ3N9DHQ7U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZAFIRLUKAST M-TOLYL ISOMER

Common Name

English

CARBAMIC ACID, N-(3-((2-METHOXY-4-((((3-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)-, CYCLOPENTYL ESTER

Systematic Name

English

CYCLOPENTYL N-(3-((2-METHOXY-4-((((3-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)CARBAMATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

42633112

Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023

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EPA CompTox

DTXSID50655286

Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023

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FDA UNII

EQ3N9DHQ7U

Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023

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CAS

1159195-69-3

Created by admin on Sat Dec 16 11:50:12 GMT 2023 , Edited by admin on Sat Dec 16 11:50:12 GMT 2023

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