Molecular Identity
Amitriptyline
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
PubChem CID: 2160
Amitriptyline is an organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. It has a role as a tropomyosin-related kinase B receptor agonist, an antidepressant, an adrenergic uptake inhibitor, a xenobiotic and an environmental contaminant. It is a tertiary amine and a carbotricyclic compound. It derives from a hydride of a dibenzo[a,d][7]annulene.
2D Structure
Properties
C20H23N
Molecular Formula
277.40
Molecular Weight
g/mol
277.1830
Exact Mass
Da
5
XLogP
Above Lipinski threshold
3.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
331
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31Isomeric SMILES
SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31Synonyms(20)
amitriptyline50-48-6AmitriptylinSerotenDamitriptylineTriptanolFlavylProheptadieneDamilenTriptisolAdeprilElavilLantronAmitryptilineTryptanol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amitriptyline
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