CINALUKAST

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H28N2O3S
Molecular Weight	412.545
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CINALUKAST

Structure Search

SMILES

CCC(CC)(CC(=O)NC1=CC(\C=C\C2=NC(=CS2)C3CCC3)=CC=C1)C(O)=O

InChI

InChIKey=BZMKNPGKXJAIDV-VAWYXSNFSA-N

InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+

HIDE SMILES / InChI

Molecular Formula	C23H28N2O3S
Molecular Weight	412.545
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:15 UTC 2023` Edited by `admin` on `Fri Dec 15 15:32:15 UTC 2023`
Record UNII	5E1O433QAI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINALUKAST

Official Name

English

BUTANOIC ACID, 4-((3-(2-(4-CYCLOBUTYL-2-THIAZOLYL)ETHENYL)PHENYL)AMINO)-2,2-DIETHYL-4-OXO-, (E)-

Common Name

English

RO 24-5913

Code

English

RO-245913

Code

English

RO-24-5913

Code

English

3'-((E)-2-(4-CYCLOBUTYL-2-THIAZOLYL)VINYL)-2,2-DIETHYLSUCCINANILIC ACID

Systematic Name

English

cinalukast [INN]

Common Name

English

CINALUKAST [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

Code System Code Type Description

CHEBI

126598

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

USAN

FF-6

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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DRUG BANK

DB00587

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

EVMPD

SUB06282MIG

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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CAS

128312-51-6

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

SMS_ID

100000081038

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

ChEMBL

CHEMBL283754

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

PUBCHEM

6436135

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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FDA UNII

5E1O433QAI

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

INN

7094

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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DRUG CENTRAL

648

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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EPA CompTox

DTXSID1045742

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

NCI_THESAURUS

C96709

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

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ACTIVE MOIETY