Desipramine-d3 , CAS No.65100-49-4

CAS: 65100-49-4 Cat. No.: D648140 Formula: C₁₈H₁₉D₃N₂ Molecular Weight: 269.4 EC Number: 690-390-4 PubChem CID: 45038865

Synonyms

10,11-Dihydro-N-(methyl-d3)-5H-dibenz[b,f]azepine-5-propanamine | DTXSID80661890 | Desipramine-d3 | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine | HY-B1272AS1 | 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-(~2~H_3_)meth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Desipramine-d 3 is the deuterium labeled Desipramine. Desipramine is a tricyclic psychotic compound, possessing antidepressant activity. Desipramine inhibits the norepinephrine reuptake receptor in the central nervous system and reduces the sleep-related loss of genioglossus activity, can be used to research the improvement of pharyngeal collapsibility.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Synonyms

10,11-Dihydro-N-(methyl-d3)-5H-dibenz[b,f]azepine-5-propanamine | DTXSID80661890 | Desipramine-d3 | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine | HY-B1272AS1 | 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-(~2~H_3_)meth

Biochemical and Physiological Mechanisms

Desipramine-d 3 is the deuterium labeled Desipramine. Desipramine is a tricyclic psychotic compound, possessing antidepressant activity. Desipramine inhibits the norepinephrine reuptake receptor in the central nervous system and reduces the sleep-related

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles

CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

IUPAC Name

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine

InChIKey

HCYAFALTSJYZDH-FIBGUPNXSA-N

INCHI

1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3/i1D3

Isomeric SMILES

[2H]C([2H])([2H])NCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

PubChem CID

45038865

Molecular Weight

269.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Alkyldiarylamines Azepines Benzenoids Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Azepine - Benzenoid - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 269.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 269.197 Da
• Monoisotopic Mass: 269.197 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 267.000
• 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: 1