Clomipramine hydrochloride

C₁₉H₂₄Cl₂N₂CAS 17321-77-6351.31 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₉H₂₄Cl₂N₂
Molar mass: 351.31 g/mol
Exact mass: 350.1317 Da
Melting point: 189–190 °C
logP: 4.95Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin65.6% of notifiers
H315 Causes skin irritation63.9% of notifiers
H319 Causes serious eye irritation63.9% of notifiers
H332 Harmful if inhaled65.6% of notifiers
H335 May cause respiratory irritation62.3% of notifiers
H361 Suspected of damaging fertility or the unborn child24.6% of notifiers
H400 Very toxic to aquatic life26.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects27.9% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

17321-77-6

SMILES

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl

InChIKey

WIMWMKZEIBHDTH-UHFFFAOYSA-N

InChI

InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H

Weigh it out

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

Names and synonyms

10 names

5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1)
5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-, monohydrochloride
5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, monohydrochloride
3-Chloro-5-(3-dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride
Chlorimipramine hydrochloride
Anafranil
3-Chloroimipramine hydrochloride
Anaphranil
Chloroimipramine monohydrochloride
Anatranil

Work with Clomipramine 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.

Clomipramine303-49-1Free base

Similar compounds

Imipramine hydrochloride113-52-075 % similar Chlorpromazine hydrochloride69-09-065 % similar Promazine hydrochloride53-60-151 % similar Desipramine hydrochloride58-28-651 % similar 1-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone25961-11-946 % similar Prochlorperazine58-38-844 % similar Perphenazine58-39-939 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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