ChemicalBook--->CAS DataBase List--->78613-35-1

78613-35-1

78613-35-1 Structure

78613-35-1 Structure
IdentificationMore
[Name]

Amorolfine
[CAS]

78613-35-1
[Synonyms]

(+/-)-cis-2,6-dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine
SYLIMARIN
4-(3-(4-(1,1-Dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
Morpholine, 4-3-4-(1,1-dimethylpropyl)phenyl-2-methylpropyl-2,6-dimethyl-, (2R,6S)-rel-
Loceryl
Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-
Ro 14-4767
Ro 14-4767/000
Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-
amorolfin
(+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine
cis-4-[3-3[4-(1,1-Dimethylpropyl)phenyl]-2-methypropyl]-2,6-dimethylmor-pholine
Ro-l4-4767/000
Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-
4-[3-[p-(1,1-Dimethylpropyl)phenyl]-2-methylpropyl]-2α,6α-dimethylmorpholine
4-[3-[p-(1,1-Dimethylpropyl)phenyl]-2-methylpropyl]-2β,6β-dimethylmorpholine
[Molecular Formula]

C21H35NO
[MDL Number]

MFCD00865597
[Molecular Weight]

317.51
[MOL File]

78613-35-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

bp0.1 120°
[density ]

0.924±0.06 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

7.33±0.10(Predicted)
[color ]

Colourless
[InChI]

InChI=1/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-AYHJJNSGNA-N
[SMILES]

N1(CC(C)CC2=CC=C(C(C)(C)CC)C=C2)C[C@H](C)O[C@H](C)C1 |&1:17,20,r|
[CAS DataBase Reference]

78613-35-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethylmorpholine-->Amorolfine-->Amorolfine EP Impurity C-->Fenpropimorph-->2-CHLORO-2-METHYLBUTANE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine(78613-35-1).msds
Hazard InformationBack Directory
[Uses]

Amorolfine is a novel antifungal agent used in the treatment of cutaneous fungal disease.
[Definition]

ChEBI: 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 f squalene monooxygenase, Delta14 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.
[Clinical Use]

Amorolfine is the only drug in this class that is employed clinically in the treatment of human fungal infections. Amorolfine is not currently available in the United States, but it is marketed in Europe and Asia for the topical treatment of dermatophytic infections.
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