IRALUKAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H37F3O8S
Molecular Weight	710.756
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=C(O)C(=CC=C1OCCCC\C=C/C=C/[C@H](SC2=CC=C3C(=O)C=C(OC3=C2)C(O)=O)[C@H](O)C4=CC=CC(=C4)C(F)(F)F)C(C)=O

InChI

InChIKey=IXJCHVMUTFCRBH-SDUHDBOFSA-N

InChI=1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H37F3O8S
Molecular Weight	710.756
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	2
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/mesh/67067425 | https://www.ncbi.nlm.nih.gov/pubmed/1825370 | https://www.ncbi.nlm.nih.gov/pubmed/18465520

IRALUKAST, a leukotriene D4 analog, has potent peptido-leukotriene antagonist activity. It was under clinical development and in phase II clinical trials as a potential treatment for asthma.

Originator

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:39:55 UTC 2023` Edited by `admin` on `Fri Dec 15 15:39:55 UTC 2023`
Record UNII	L1E28E0J8F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IRALUKAST

Official Name

English

iralukast [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712