Amorolfine hydrochloride

HCID 54259CAS 78613-38-4

基本情報

標準SMILES: CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl
InChIKey: XZKWIPVTHGWDCF-KUZYQSSXSA-N
分子式: C21H36ClNO
平均分子量: 354 g/mol
単同位体質量: 353.24854245

概要

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+).

名称と識別子

優先名称: Amorolfine hydrochloride
IUPAC: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride

名称と別名

amorolfine hydrochloride78613-38-4PekironBekironAmorolfine (hydrochloride)Amorolfine HCl?MFCD00903738Pekiron (TN)Amorolfine hydrochloride [JAN]starbld0005329106614-68-0Amorolfine hydrochloride CRS

名称をさらに表示

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)

データベース識別子

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

物性

構造計算による物性

極性表面積: 12.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 24
形式電荷: 0
複雑度: 336

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)