Nortriptyline-d3 Hydrochloride , CAS No.203784-52-5

CAS: 203784-52-5 Cat. No.: N331915 Summenformel: C₁₉H₁₉D₃ClN Molekulargewicht: 302.86 EG-Nummer: 696-056-4

Synonyms

F91203 | Nortriptyline-d3 Hydrochloride | Acetexa-d3 | NORTRIPTYLINE HCl (METHYL-D3) | Nortriptyline-D3.HCl, 1mg/ml in Methanol | Nortriptyline-D3.HCl, 0.1mg/ml in Methanol | 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-(~2~H_3_)methylpropan-1-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Nortriptyline-d3 Hydrochloride is a deuterium labeled tricyclic compound which is bioactive at a number of different receptors.

Specifications

Synonyme

F91203 | Nortriptyline-d3 Hydrochloride | Acetexa-d3 | NORTRIPTYLINE HCl (METHYL-D3) | Nortriptyline-D3.HCl, 1mg/ml in Methanol | Nortriptyline-D3.HCl, 0.1mg/ml in Methanol | 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-(~2~H_3_)methylpropan-1-

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl

IUPAC Name

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

InChIKey

SHAYBENGXDALFF-NIIDSAIPSA-N

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;

Isomere SMILES

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

Molekulargewicht

302.86

Reaxy-Rn

4163872

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, ethanol, methanol, and chloroform.
• Brechungsindex: n20D~1.63
• Schmelzpunkt (°C): 213-215° C
• Molekulargewicht: 302.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 302.163 Da
• Monoisotopic Mass: 302.163 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3