Cinacalcet hydrochloride

C₂₂H₂₃ClF₃NCAS 364782-34-3393.88 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₂₂H₂₃ClF₃N
Molar mass: 393.88 g/mol
Exact mass: 393.1471 Da
Melting point: 180–184 °C
logP: 6.56Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed45.5% of notifiers
H317 May cause an allergic skin reaction36.4% of notifiers
H318 Causes serious eye damage45.5% of notifiers
H319 Causes serious eye irritation36.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure54.5% of notifiers
H400 Very toxic to aquatic life36.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects45.5% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

364782-34-3

SMILES

C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl

InChIKey

QANQWUQOEJZMLL-PKLMIRHRSA-N

InChI

InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1

Weigh it out

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

Names and synonyms

9 names

1-Naphthalenemethanamine, α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, hydrochloride (1:1), (αR)-
1-Naphthalenemethanamine, α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, hydrochloride, (αR)-
AMG 073 HCl
KRN 1493
Sensipar
Mimpara
Regpara
N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride
[(1R)-1-(Naphthalen-1-yl)ethyl]([3-[3-(trifluoromethyl)phenyl]propyl])amine hydrochloride

Work with Cinacalcet 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

Cinacalcet226256-56-094 % similar Fenfluramine hydrochloride404-82-047 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-243 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-040 % similar 2-(Naphthalen-1-yl)pyrrolidine121193-91-739 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-838 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-336 % similar 3-(Trifluoromethyl)benzylamine2740-83-236 % similar

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

Elsewhere

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