ABLUKAST SODIUM

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 Search

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

Molecular Formula	C28H33O8
Molecular Weight	497.5568
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 15:51:09 GMT 2023` Edited by `admin` on `Fri Dec 15 15:51:09 GMT 2023`
Record UNII	37BXZ0J2RT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABLUKAST SODIUM

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