ABLUKAST

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 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	( + / - )

Description
Sources: https://adisinsight.springer.com/drugs/800002358 | https://www.ncbi.nlm.nih.gov/pubmed/7648518 | https://www.ncbi.nlm.nih.gov/pubmed/2829957 | Morton, I.K., Hall, J.M. (2012) Concise Dictionary of Pharmacological Agents, page 2, retrieved from: https://books.google.ru/books?id=tsjrCAAAQBAJ

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

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

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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