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

CAS: 61361-34-0 Cat. No.: D342245 Peso molecular: 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

Descripción general

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

Sinónimos

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]-

Especificaciones y pureza

≥98 atom% D4

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98 atom% D4

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: [2H]C1=CC(=C2C(=C1)CCC3=CC(=CC(=C3N2CCCNC)[2H])[2H])[2H].Cl
• Peso molecular: 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
    • Clase Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Water
• Punto de fusión (°C): >201° C (dec.)
• Peso molecular: 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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