Desipramine-2,4,6,8-d4 Hydrochloride - ≥98 atom% D4 , CAS No.61361-34-0

CAS: 61361-34-0 Cat. No.: D342245 Molecular Weight: 306.87

GRADE & PURITY ≥98 atom% D4

Synonyms

DTXSID70661889 | G-35020-d4 | Desipramine-d4 | Desipramine-2,4,6,8-d4 Hydrochloride | F90712 | 10,11-Dihydro-N-methyl-5H-dibenz[b,f]azepine-5-propanamine-d4 | Desipramine-d4 (hydrochloride) | 3-[(2,4,6,8-~2~H_4_)-10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product introduction：

Desipramine-2,4,6,8-d4 Hydrochloride is a labeled tricyclic compound which acts as a potent inhibitor of the norepinephrine transporter (SLC6A2). It is selective for SLC6A2 over the serotonin transporter (SLC6A4).

Product Application：

Labelled tricyclic antidepressant that is a more potent inhibitor of the norepinephrine transporter than the serotonin transporter

Specifications

Synonyms

DTXSID70661889 | G-35020-d4 | Desipramine-d4 | Desipramine-2, 4, 6, 8-d4 Hydrochloride | F90712 | 10, 11-Dihydro-N-methyl-5H-dibenz[b, f]azepine-5-propanamine-d4 | Desipramine-d4 (hydrochloride) | 3-[(2, 4, 6, 8-~2~H_4_)-10, 11-Dihydro-5H-dibenzo[b, f]azepin-5-yl]-

Specifications & Purity

≥98 atom% D4

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.

Purity

≥98 atom% D4

Names and Identifiers

• Canonical Smiles: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
• IUPAC Name: N-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride
• InChIKey: XAEWZDYWZHIUCT-TUJKZWLVSA-N
• INCHI: 1S/C18H22N2.ClH/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;1H/i2D,3D,9D,10D
• Isomeric SMILES: [2H]C1=CC(=C2C(=C1)CCC3=CC(=CC(=C3N2CCCNC)[2H])[2H])[2H].Cl
• Molecular Weight: 306.87
• Reaxy-Rn: 4166006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166006&ln=

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 Hydrochlorides 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 - Hydrochloride - 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

• Solubility: Soluble in Water
• Melt Point(°C): >201° C (dec.)
• Molecular Weight: 306.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 306.18 Da
• Monoisotopic Mass: 306.18 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 267.000
• Isotope Atom Count: 4
• 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

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