Amorolfine hydrochloride

HCID 54259CAS 78613-38-4
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Basic information

Standard SMILES
CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl
InChIKey
XZKWIPVTHGWDCF-KUZYQSSXSA-N
Molecular formula
C21H36ClNO
Average molar mass
354 g/mol
Monoisotopic mass
353.24854245

Overview

Amorolfine hydrochloride is a hydrochloride resulting from the formal reacton of equimolar amounts of hydrogen chloride and amorolfine. An inhibitor of the action of squalene monooxygenase, 14 reductase and D7-D8 isomerase and an antifungal agent, it is used for the topical treatment of fungal nail and skin infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor, an EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor and an EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor. It is a hydrochloride and a morpholine antifungal drug. It contains an amorolfine(1+).

Names & identifiers

Preferred name
Amorolfine hydrochloride
IUPAC
(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride

Names & synonyms

amorolfine hydrochloride78613-38-4PekironBekironAmorolfine (hydrochloride)Amorolfine HCl?MFCD00903738Pekiron (TN)Amorolfine hydrochloride [JAN]starbld0005329106614-68-0Amorolfine hydrochloride CRS
Show more names
Amorolfine;Ro 14-476778613-38-4 (HCl)C21H36ClNO741YH7379HRo 14-4767/002(2R,6S)-2,6-dimethyl-4-(2-methyl-3-(4-(tert-pentyl)phenyl)propyl)morpholine hydrochlorideMorpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, hydrochloride (1:1), (2R,6S)-rel-Amorolfine hydrochloride (JAN)

Database identifiers

CAS
78613-38-4
PubChem CID
54259
DTXSID
DTXSID80229217
ChEMBL
CHEMBL4303363
ChEBI
CHEBI:59649
UNII
741YH7379H
EC Number
689-236-9

Properties

Computed structural properties

Topological polar surface area
12.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
24

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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