Ketcher 07091512312D 1   1.00000     0.00000     0

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 23 21  1  0     0  0
M  END
> <ID>
CHEBI:599440

> <NAME>
amorolfine

> <DEFINITION>
A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Δ14 reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:31779

> <SYNONYM>
meso-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine; meso-2,6-dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine; (+-)-cis-2,6-dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine

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

> <INN>
amorolfinum; amorolfine; amorolfina

> <FORMULA>
C21H35NO

> <MASS>
317.50870

> <MONOISOTOPIC_MASS>
317.27186

> <CHARGE>
0

> <SMILES>
CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1

> <INCHI>
InChI=1S/C21H35NO/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/t16?,17-,18+

> <INCHIKEY>
MQHLMHIZUIDKOO-AYHJJNSGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8154195

> <CAS_REGISTRY_NUMBER>
78613-35-1

> <CHEMIDPLUS>
78613-35-1

> <KEGG_DRUG_ACCESSION>
D02923

> <WIKIPEDIA_ACCESSION>
Amorolfine

> <PUBMED_CITATION>
17620378

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