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Terbinafine hydrochloride

CAT: 0127-BUP16916-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16916-01Size:100 mg
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CAS Number
78628-80-5
Synonyms
KWD 2019, Terbinafine HCl, TDT 067 hydrochloride
Purity
=98%
Smiles
Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12

Chemical Information

Terbinafine Hydrochloride

Terbinafine hydrochloride is a hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride. It has a role as a P450 inhibitor and an EC 1.14.13.132 (squalene monooxygenase) inhibitor. It is a hydrochloride and an allylamine antifungal drug. It contains a terbinafine(1+).

CAS Number78628-80-5
PubChem CID5282481
IUPAC Name(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride
Molecular FormulaC21H26ClN
Molecular Weight327.9
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity428
SMILES
CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.Cl
InChI
InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;
InChIKey
BWMISRWJRUSYEX-SZKNIZGXSA-N
Chemical Structure
2D Structure
2D structure of Terbinafine Hydrochloride
CAS: 78628-80-5
CID: 5282481
Formula: C21H26ClN
MW: 327.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass327.1753775
Monoisotopic Mass327.1753775
Topological Polar Surface Area3.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
T142-1GTerbinafine Hydrochloride
FT28038-01Cis-Terbinafine hydrochloride
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AR-T01596-01Terbinafine-d3 Hydrochloride
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