Amitriptyline hydrochloride

C₂₀H₂₄ClNCAS 549-18-8313.87 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₂₀H₂₄ClN
Molar mass: 313.87 g/mol
Exact mass: 313.1597 Da
Melting point: 196–197 °C
logP: 4.59Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed71.3% of notifiers
H302 Harmful if swallowed27.9% of notifiers
H318 Causes serious eye damage27.2% of notifiers
H319 Causes serious eye irritation35.3% of notifiers
H361 Suspected of damaging fertility or the unborn child25.7% of notifiers
H361d Suspected of damaging the unborn child13.2% of notifiers
H362 May cause harm to breast-fed children26.5% of notifiers
H370 Causes damage to organs40.4% of notifiers
H400 Very toxic to aquatic life72.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects72.8% of notifiers

Aggregated from 136 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P305+P354+P338, P308+P316, P317, P318, P321, P330, P337+P317, P391, P405, P501

Identifiers

CAS number

549-18-8

SMILES

CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl

InChIKey

KFYRPLNVJVHZGT-UHFFFAOYSA-N

InChI

InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H

Weigh it out

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

Names and synonyms

64 names · show all

1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1)
5H-Dibenzo[a,d]cycloheptene-δ5,γ-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride
1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride
10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-δ5,γ-propylamine hydrochloride
5-(3-Dimethylaminopropylidene)dibenzo[a,d][1,4]cycloheptadiene hydrochloride
Tryptizol
Saroten
Damilen hydrochloride
Amitriptyline chloride
Lentizol
Laroxyl
Sarotex
NIH 10794
Elavil
Amineurin
Uxen
Noriline
Triptizol
Domical
Miketorin
Amilent
Endep
Amiprin
Apo-amitriptyline
Larozyl
Amicen
Saroten retard
Pinsaun
Amitrip
Tryptine
Etravil
Amyline
Anapsique
Tryptal
Trynol
Tridep
Amilit
Amiplin
Novoprotect
Elatrol
Tripta
Trepiline
Redomex
Elatrolet
Vanatrip
Syneudon
Trytomer
Pinsanu
Teperin
Enafon
Adepril
Tryptanol
Lantron
Amyzol
Sarotena
Euplit
Amitril
Ro 4-1575
Deprex
Sylvemid
Amitid
Amil 25
ADT
[3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine; hydrochloride

Work with Amitriptyline 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.

Amitriptyline50-48-6Free base

Similar compounds

Doxepin hydrochloride1229-29-470 % similar Cyclobenzaprine hydrochloride6202-23-969 % similar Melitracen hydrochloride10563-70-964 % similar Nortriptyline hydrochloride894-71-361 % similar Chlorprothixene hydrochloride6469-93-854 % similar Olopatadine hydrochloride140462-76-652 % similar Chlorprothixene113-59-748 % similar Olopatadine113806-05-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Maprotiline hydrochloride10347-81-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook