chempirical

Clomipramine

C19H23ClN2CAS 303-49-1314.86 g/mol

Open in Covalent MOL file
NNCl
Aryl halideTertiary amine

Properties

Molecular formula
C19H23ClN2
Molar mass
314.86 g/mol
Exact mass
314.1550 Da
Melting point
189.5 °C
Boiling point
160–170 °C
pKa
9.38
logP
4.53Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
303-49-1
SMILES
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
InChIKey
GDLIGKIOYRNHDA-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2/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

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Names and synonyms

9 names
  • 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-
  • 5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-
  • 3-Chloro-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine
  • Chlorimipramine
  • 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine
  • G 34586
  • NSC 169865
  • Anapramine
  • Clomicalm

Work with Clomipramine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Clomipramine hydrochloride17321-77-6Salt

Similar compounds

Imipramine hydrochloride113-52-068 % similar Chlorpromazine hydrochloride69-09-059 % similar 1-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone25961-11-949 % similar Prochlorperazine58-38-846 % similar Promazine hydrochloride53-60-145 % similar Desipramine hydrochloride58-28-645 % similar Perphenazine58-39-941 % similar 3-Chloroiminodibenzyl32943-25-239 % similar

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

Same formula

Triprolidine hydrochloride550-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook