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Chemical structure of Amitriptyline

GC25060

Amitriptyline

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

Amitriptyline (MK-230, N-750, Ro41575) is a tricyclic antidepressant (TCA) with analgesic properties, widely used to treat depression and neuropathic pain· Amitriptyline is an inhibitor of both serotonin transporter (SERT) and norepinephrine transporter (NET) with Ki of 3·45 nM and 13·3 nM, respectively· Amitriptyline also inhibits histamine receptor H1, histamine receptor H4, 5-HT2 and sigma 1 receptor with Ki of 0·5 nM, 7·31 nM, 235 nM and 287 nM, respectively· This product is a waxy solid

ChemicalCAS50-48-6MW277.4FormulaC20H23N
CAS number
50-48-6
Molecular weight
277.4
Formula
C20H23N
Solubility
DMSO : 100 mg/mL (360·49 mM; Need ultrasonic)
InChIKey
KRMDCWKBEZIMAB-UHFFFAOYSA-N
Catalogue number
GC25060
Brand
GLPBIO
Computed properties PubChem CID 2160 · XLogP 5 · TPSA 3.2 Ų · H-bond donors 0
XLogP
5
TPSA
3.2 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
21

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

Computed descriptors from PubChem (CID 2160), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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