amorolfine hydrochloride (CHEBI:59649)

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ChEBI Name	amorolfine hydrochloride

ChEBI ID	CHEBI:59649

Definition	A hydrochloride resulting from the formal reacton of equimolar amounts of hydrogen chloride and amorolfine. An inhibitor of the action of squalene monooxygenase, Δ¹⁴ reductase and D7-D8 isomerase and an antifungal agent, it is used for the topical treatment of fungal nail and skin infections.

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

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Formula

C21H36ClNO

Net Charge

Average Mass

353.97000

Monoisotopic Mass

353.24854

InChI

InChI=1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;

InChIKey

XZKWIPVTHGWDCF-KUZYQSSXSA-N

SMILES

Cl.CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1

Roles Classification
Biological Role(s):	EC 1.14.13.132 (squalene monooxygenase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of squalene monooxygenase (EC 1.14.13.132). EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor An EC 5.3.3.* (intramolecular oxidase transposing C2C bonds) inhibitor that interferes with the action of a cholestenol Delta-isomerase (EC 5.3.3.5). EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of Delta14-sterol reductase (EC 1.3.1.70). antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via morpholine antifungal drug ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via morpholine antifungal agent )

Application(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via morpholine antifungal drug )

ChEBI Ontology
Outgoing	amorolfine hydrochloride (CHEBI:59649) has part amorolfine(1+) (CHEBI:86380) amorolfine hydrochloride (CHEBI:59649) has role EC 1.14.13.132 (squalene monooxygenase) inhibitor (CHEBI:59285) amorolfine hydrochloride (CHEBI:59649) has role EC 1.3.1.70 (Δ¹⁴-sterol reductase) inhibitor (CHEBI:83319) amorolfine hydrochloride (CHEBI:59649) has role EC 5.3.3.5 (cholestenol Δ-isomerase) inhibitor (CHEBI:86385) amorolfine hydrochloride (CHEBI:59649) is a hydrochloride (CHEBI:36807) amorolfine hydrochloride (CHEBI:59649) is a morpholine antifungal drug (CHEBI:87135)

IUPAC Name

(2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine hydrochloride

Synonym	Source
meso-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine	ChEBI

Last Modified

24 July 2015