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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
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 SODIUM
USAN  
USAN  
Official Name English
RO 23 3544/001
Code English
RO-233544001
Code English
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, MONOSODIUM SALT, (±)-
Common Name English
ABLUKAST SODIUM [USAN]
Common Name English
SODIUM (±)-6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-2-CHROMANCARBOXYLATE
Systematic Name English
RO 23-3544/001
Code English
RO-23-3544/001
Code English
ULPAX
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL22016
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
USAN
Y-18
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
FDA UNII
37BXZ0J2RT
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
NCI_THESAURUS
C83514
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID30914449
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
PUBCHEM
23694472
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY
CAS
96565-55-8
Created by admin on Fri Dec 15 15:51:09 GMT 2023 , Edited by admin on Fri Dec 15 15:51:09 GMT 2023
PRIMARY