Terbinafine hydrochloride

C₂₁H₂₆ClNCAS 78628-80-5327.90 g/mol

Open in Covalent MOL file

Alkene Alkyne Tertiary 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation46.4% of notifiers
H319 Causes serious eye irritation46.4% of notifiers
H335 May cause respiratory irritation46.4% of notifiers
H400 Very toxic to aquatic life87.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects95.5% of notifiers

Aggregated from 179 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Terbinafine91161-71-6Free base

Similar compounds

Naftifine hydrochloride65473-14-561 % similar Naftifine65472-88-055 % similar Butenafine hydrochloride101827-46-751 % similar Butenafine101828-21-145 % similar N-Methyl-N-naphthylmethylamine hydrochloride65473-13-437 % similar 1-(1-Naphthylmethyl)piperazine40675-81-833 % similar 1-Ethylnaphthalene1127-76-033 % similar 1-(Bromomethyl)naphthalene3163-27-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Melitracen hydrochloride10563-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook