ABLUKAST

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H34O8
Molecular Weight	498.5648
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ABLUKAST

Structure Search

SMILES

CCCC1=C(OCCCCCOC2=CC3=C(CCC(O3)C(O)=O)C=C2C(C)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=FGGYJWZYDAROFF-UHFFFAOYSA-N

InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)

HIDE SMILES / InChI

Molecular Formula	C28H34O8
Molecular Weight	498.5648
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:21:49 UTC 2023` Edited by `admin` on `Fri Dec 15 16:21:49 UTC 2023`
Record UNII	000TKM5BBQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ABLUKAST

Official Name

English

RO 23 3544/000

Code

English

RO 23-3544/000

Code

English

ABLUKAST [USAN]

Common Name

English

ablukast [INN]

Common Name

English

RO-23-3544

Code

English

(±)-6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-2-CHROMANCARBOXYLIC ACID

Systematic Name

English

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, (±)-

Common Name

English

RO-23-3544/000

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29712

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID20869277

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

MESH

C053877

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

SMS_ID

100000082325

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

INN

6441

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

PUBCHEM

57109

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

EVMPD

SUB07363MIG

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

ChEMBL

CHEMBL22016

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

USAN

AA-71

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

NCI_THESAURUS

C74132

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

FDA UNII

000TKM5BBQ

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

CAS

96566-25-5

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

WIKIPEDIA

ABLUKAST

Created by admin on Fri Dec 15 16:21:49 UTC 2023 , Edited by admin on Fri Dec 15 16:21:49 UTC 2023

PRIMARY

Related Record Type Details


					AA2PLU36WV

RACEMATE -> ENANTIOMER


					5D02B11YGB

RACEMATE -> ENANTIOMER


					37BXZ0J2RT

ABLUKAST SODIUM

SALT/SOLVATE -> PARENT

Related Record Type Details


					000TKM5BBQ

ABLUKAST

ACTIVE MOIETY