chempirical

Terbinafine hydrochloride

C21H26ClNCAS 78628-80-5327.90 g/mol

Open in Covalent MOL file
NHCl
AlkeneAlkyneTertiary amine

Properties

Molecular formula
C21H26ClN
Molar mass
327.90 g/mol
Exact mass
327.1754 Da
Melting point
205 °C
logP
5.30Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
78628-80-5
SMILES
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl
InChIKey
BWMISRWJRUSYEX-SZKNIZGXSA-N
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+;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-, hydrochloride (1:1)
  • 1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-, hydrochloride, (E)-
  • 1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-ynyl]-N-methyl-, hydrochloride
  • Terbina
  • Lamisil
  • Bramazil
  • Bramizil
  • Muzonal
  • Terbine
  • Lamisil once

Work with Terbinafine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terbinafine91161-71-693 % similar Naftifine hydrochloride65473-14-561 % similar Naftifine65472-88-055 % similar Butenafine hydrochloride101827-46-751 % similar Butenafine101828-21-145 % similar N-Methyl-1-naphthalenemethanamine hydrochloride65473-13-437 % similar 1-Ethylnaphthalene1127-76-033 % similar Naphazoline hydrochloride550-99-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Melitracen hydrochloride10563-70-9

Elsewhere

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