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

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
Ablukast is a benzopyran derivative, a leukotriene receptor antagonist with potential as an antiasthmatic agent. Ablukast antagonized he hypotensive effect of N-methyl leukotriene C4 and leukotriene C4 (LTC4). Ablukast also antagonized the effects induced by high doses of leukotriene D4 and E4. Receptors that preferentially bind LTC4 in bullfrog vascular smooth muscle regulate the hypotensive effect and that they can be antagonized by ablukast. Ablukast has been in phase III clinical trials for the treatment of bowel disease. However, this research has been discontinued.

Approval Year

Patents

Patents

Name Type Language
ABLUKAST
INN   USAN  
USAN   INN  
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 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID20869277
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
PRIMARY
MESH
C053877
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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SMS_ID
100000082325
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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INN
6441
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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PUBCHEM
57109
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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EVMPD
SUB07363MIG
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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ChEMBL
CHEMBL22016
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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USAN
AA-71
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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NCI_THESAURUS
C74132
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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FDA UNII
000TKM5BBQ
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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CAS
96566-25-5
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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WIKIPEDIA
ABLUKAST
Created by admin on Fri Dec 15 16:21:49 GMT 2023 , Edited by admin on Fri Dec 15 16:21:49 GMT 2023
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