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Details

Stereochemistry RACEMIC
Molecular Formula C28H33O8.Na
Molecular Weight 520.5466
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABLUKAST SODIUM

SMILES

[Na+].CCCC1=C(OCCCCCOC2=C(C=C3CCC(OC3=C2)C([O-])=O)C(C)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=IQXFQHXFCSOQGI-UHFFFAOYSA-M
InChI=1S/C28H34O8.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Description

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