Imipramine-d6 - ≥98 atom% D,≥95% , CAS No.65100-45-0

CAS: 65100-45-0 Cat. No.: I335489 分子式: C₁₉H₁₈D₆N₂ 分子量: 286.44 EC番号: 696-054-3

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

AKOS030242597 | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine | Imipramine-d6 | DTXSID70662038 | 10,11-Dihydro-N,N-di(methyl-d3)-5H-dibenz[b,f]azepine-5-propanamine | 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Imipramine-d6, a labeled tricyclic antidepressant that inhibits the serotonin and norepinephrine transporters (ST and SLC6A2), but has little effect on the dopamine transporter. Additionally, imipramine-d6 can inhibit mAChR M2, SR-2A and SR-2C.

Specifications

同義語

AKOS030242597 | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine | Imipramine-d6 | DTXSID70662038 | 10,11-Dihydro-N,N-di(methyl-d3)-5H-dibenz[b,f]azepine-5-propanamine | 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-b

仕様と純度

≥98 atom% D,≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98 atom% D,≥95%

名前と識別子

パブケム・シド

528769195

カノニカル・スマイル

CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

IUPAC Name

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

InChIKey

BCGWQEUPMDMJNV-WFGJKAKNSA-N

INCHI

1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/i1D3,2D3

異性体SMILES

[2H]C([2H])([2H])N(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)C([2H])([2H])[2H]

分子量

286.44

Reaxy-Rn

256892

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=256892&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Alkyldiarylamines Azepines Benzenoids Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Azepine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Chloroform, Dichloromethane, and Ethyl Acetate
• 分子量: 286.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 286.232 Da
• Monoisotopic Mass: 286.232 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 291.000
• Isotope Atom Count: 6
• 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