Chlorpromazine-d₆ Hydrochloride - ≥98%(CP),≥98 atom% D , CAS No.1228182-46-4

CAS: 1228182-46-4 Cat. No.: C134798 Molecular Weight: 361.36 EC Number: 688-173-4

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

DTXSID60746836 | Chlorpromazine D6 Hydrochloride | Klorproman-d6 | A890948 | Chlorpromazin HCl-d6 | 1228182-46-4 | HY-B0407AS | 3-(2-chlorophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride | J-004863 | Chlorpromazine (D6 hydrochlo

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Chlorpromazine-d6 (hydrochloride) is the deuterium labeled Chlorpromazine. Chlorpromazine is an inhibitor of dopamine receptor, 5-HT receptor, potassium channel, sodium channel.

Specifications

Synonyms

DTXSID60746836 | Chlorpromazine D6 Hydrochloride | Klorproman-d6 | A890948 | Chlorpromazin HCl-d6 | 1228182-46-4 | HY-B0407AS | 3-(2-chlorophenothiazin-10-yl)-N, N-bis(trideuteriomethyl)propan-1-amine;hydrochloride | J-004863 | Chlorpromazine (D6 hydrochlo

Specifications & Purity

≥98%(CP), ≥98 atom% D

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(CP), ≥98 atom% D

Names and Identifiers

• Canonical Smiles: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
• IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
• InChIKey: FBSMERQALIEGJT-TXHXQZCNSA-N
• INCHI: 1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H/i1D3,2D3
• Isomeric SMILES: [2H]C([2H])([2H])N(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C([2H])([2H])[2H].Cl
• WGK Germany: 3
• Alternate CAS: 69-09-0（unlabelled）
• Molecular Weight: 361.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Benzenoids Aryl chlorides 1,4-thiazines Trialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Para-thiazine - Aryl chloride - Aryl halide - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organic nitrogen compound - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine 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

Chemical and Physical Properties

• Sensitivity: light and moisture sensitive
• Molecular Weight: 361.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 360.11 Da
• Monoisotopic Mass: 360.11 Da
• Topological Polar Surface Area: 31.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 339.000
• 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: 2

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