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Nortriptyline-d3 (hydrochloride)

CAT: 0804-HY-B1417S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1417S-01Size:1 mg
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Description
Nortriptyline-d3 (hydrochloride) is the deuterium labeled Nortriptyline hydrochloride. Nortriptyline hydrochloride (Desmethylamitriptyline hydrochloride) is a tricyclic antidepressant and the main active metabolite of Amitriptyline, and used to relieve the symptoms of depression[1].
CAS Number
203784-52-5
Product Name Alternative
Desmethylamitriptyline-d3 (hydrochloride) ; Desitriptilina-d3 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302
Target
Apoptosis; Autophagy; Drug Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Autophagy; Metabolic Enzyme/Protease; Others
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease; Cancer
Purity
99.69
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : 7.14mg/mL (ultrasonic)
Smiles
C(CCNC([2H])([2H])[2H])=C1C=2C(CCC=3C1=CC=CC3)=CC=CC2.Cl
Molecular Formula
C19H19D3ClN
Molecular Weight
302.86
Precautions
H302
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Dean L. Amitriptyline Therapy and CYP2D6 and CYP2C19 Genotype. Biotechnology Information (US) ; 2012-2017 Mar 23.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nortriptyline-d3 hydrochloride

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CAS Number203784-52-5
PubChem CID45040130
IUPAC Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
Molecular FormulaC19H22ClN
Molecular Weight302.9
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity307
SMILES
[2H]C([2H])([2H])NCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
InChI
InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H/i1D3;
InChIKey
SHAYBENGXDALFF-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of Nortriptyline-d3 hydrochloride
CAS: 203784-52-5
CID: 45040130
Formula: C19H22ClN
MW: 302.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass302.1629076
Monoisotopic Mass302.1629076
Topological Polar Surface Area12 Ų
Heavy Atom Count21
Formal Charge0
Complexity307
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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