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Amorolfine hydrochloride

CAT: 0862-GP0831-1gSize: 1 gDry Ice: NoHazardous: Yes
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CAT#:0862-GP0831-1gSize:1 g
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CAS Number
78613-38-4
UN Code
3077
MDL Number
MFCD00903738
HS Code
2941905000
Purity
99.00%
Molecular Formula
C21H35ON · HCl
Molecular Weight
353.97
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

Amorolfine hydrochloride

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+).

CAS Number78613-38-4
PubChem CID54259
IUPAC Name(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride
Molecular FormulaC21H36ClNO
Molecular Weight354.0
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity336
SMILES
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C.Cl
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
Chemical Structure
2D Structure
2D structure of Amorolfine hydrochloride
CAS: 78613-38-4
CID: 54259
Formula: C21H36ClNO
MW: 354.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass353.2485425
Monoisotopic Mass353.2485425
Topological Polar Surface Area12.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
bs-75863C-01Amorolfine hydrochloride
HY-B0238-01Amorolfine (hydrochloride)
HY-W391940(Rac) -Amorolfine (hydrochloride)
HY-B0238R-01Amorolfine (hydrochloride) (Standard)
A10072-100Amorolfine Hydrochloride 100mg
A10072-500Amorolfine Hydrochloride 500mg
461377Amorolfine

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