Amitriptyline-d3 Hydrochloride

CAT: 0024-sc-217629Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217629Size:1 mg

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CAS Number

342611-00-1

Chemical Information

Amitriptyline-d3 Hydrochloride

CAS Number	342611-00-1
PubChem CID	46780369
IUPAC Name	N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
Molecular Formula	C20H24ClN
Molecular Weight	316.9
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	331

SMILES

[2H]C([2H])([2H])N(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl

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/i1D3;

InChIKey

KFYRPLNVJVHZGT-NIIDSAIPSA-N

Chemical Structure

2D Structure

CAS: 342611-00-1

CID: 46780369

Formula: C20H24ClN

MW: 316.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	316.1785577
Monoisotopic Mass	316.1785577
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	331
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-210801	Amitriptyline Hydrochloride
sc-481007	Amitriptyline-d6 Hydrochloride
sc-481544	Amitriptyline-13C3 Hydrochloride
sc-66026	Amitriptyline (201)
sc-57613	Amitriptyline (202)
sc-218225B	Diltiazem-d3 Hydrochloride
sc-280872	Ivabradine-d3 Hydrochloride
sc-221841A	Lercanidipine-d3 (hydrochloride)
sc-217614	Alosetron-d3 Hydrochloride
sc-221841	Lercanidipine-d3 (hydrochloride)

Catalog	Name
TRC-A633352-5MG	Amitriptyline-d3 Hydrochloride
HY-135096-01	Amitriptyline-d3 (hydrochloride)
T0678-01	Amitriptyline hydrochloride
HY-B0527A-01	Amitriptyline (hydrochloride)
HY-B0527AR-01	Amitriptyline (hydrochloride) (Standard)
HY-B0527AS-01	Amitriptyline-d6 (hydrochloride)
TRC-A633351-2.5MG	Amitriptyline-d6 Hydrochloride
009235-01	Amitriptyline Hydrochloride for Biochemistry
A1382-06	Amitriptyline-d3 Hydrochloride (Adepril, Amineurin, Domical, Elavil, Endep, Euplit, Laroxyl, Tryptanol, Tryptizol)
CS-O-35148	Amitriptyline D3