tomelukast (CHEBI:75310)

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ChEBI Name	tomelukast

ChEBI ID	CHEBI:75310

Definition	A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H22N4O3

Net Charge

Average Mass

318.37090

Monoisotopic Mass

318.16919

InChI

InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

InChIKey

MWYHLEQJTQJHSS-UHFFFAOYSA-N

SMILES

CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O

Roles Classification
Biological Role(s):	leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.

Application(s):	leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology
Outgoing	tomelukast (CHEBI:75310) has role anti-asthmatic drug (CHEBI:49167) tomelukast (CHEBI:75310) has role leukotriene antagonist (CHEBI:49159) tomelukast (CHEBI:75310) is a acetophenones (CHEBI:22187) tomelukast (CHEBI:75310) is a aromatic ether (CHEBI:35618) tomelukast (CHEBI:75310) is a phenols (CHEBI:33853) tomelukast (CHEBI:75310) is a tetrazoles (CHEBI:35689)

IUPAC Name

1-{2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl}ethanone

Synonyms	Sources
2'-hydroxy-3'-propyl-4'-(4-(1H-tetrazol-5-yl)butoxy)acetophenone	ChemIDplus
LY171883	ChEBI

Last Modified

25 February 2016