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

CAS: 203784-52-5 Cat. No.: N331915 Formula: C₁₉H₁₉D₃ClN Peso molecolare: 302.86 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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-

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

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;

Isomeri SMILES

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

Peso molecolare

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
    • Classe Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, ethanol, methanol, and chloroform.
• Indice di rifrazione: n20D~1.63
• Punto di fusione (°C): 213-215° C
• Peso molecolare: 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