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Amorolfine

CAT: 0013-GTR19206803-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206803-02Size:50 mg
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Description
Amorolfine
CAS Number
78613-35-1
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
CCC (C) (C) c1ccc (CC (C) CN2C[C@H] (C) O[C@H] (C) C2) cc1
Molecular Formula
C21H35NO
Molecular Weight
317.517
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amorolfine

Amorolfine is 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, 14 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. 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 tertiary amino compound and a morpholine antifungal drug. It is a conjugate base of an amorolfine(1+).

CAS Number78613-35-1
PubChem CID54260
IUPAC Name(2S,6R)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
Molecular FormulaC21H35NO
Molecular Weight317.5
XLogP5.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity336
SMILES
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C
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
Chemical Structure
2D Structure
2D structure of Amorolfine
CAS: 78613-35-1
CID: 54260
Formula: C21H35NO
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass317.271864740
Monoisotopic Mass317.271864740
Topological Polar Surface Area12.5 Ų
Heavy Atom Count23
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
461377Amorolfine
TRC-A634165-50MGtrans-Amorolfine
MBS3612752-01Amorolfine HCL
bs-75863C-01Amorolfine hydrochloride
HY-B0238-01Amorolfine (hydrochloride)

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