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Chemical structure of Amitriptyline HCl

GC13723

Amitriptyline HCl

Also known as N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride

Amitriptyline HCl is an inhibitor of serotonin reuptake transporter (SERT) and noradrenaline reuptake transporter (NET), with Kis of 3·45 nM and 13·3 nM for human SERT and NET, respectively

ChemicalCAS549-18-8MW313.86FormulaC20H23N·HCl
CAS number
549-18-8
Molecular weight
313.86
Formula
C20H23N·HCl
Solubility
≥ 15·693mg/mL in DMSO
InChIKey
KFYRPLNVJVHZGT-UHFFFAOYSA-N
Catalogue number
GC13723
Brand
GLPBIO
Computed properties PubChem CID 11065 · TPSA 3.2 Ų · H-bond donors 1 · H-bond acceptors 1
TPSA
3.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
22

SMILES CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl

Computed descriptors from PubChem (CID 11065), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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