Opromazine hydrochloride , CAS No.316-07-4

CAS: 316-07-4 Cat. No.: O931086 Molecular Weight: 371.300

Storage

Room temperature

Specifications

Storage

Room temperature

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.Cl
• IUPAC Name: 3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
• InChIKey: VWLMLCOTJLYYST-UHFFFAOYSA-N
• INCHI: 1S/C17H19ClN2OS.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
• Molecular Weight: 371.300

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 Benzenoids Aryl chlorides 1,4-thiazines Quaternary ammonium salts Trialkylamines Sulfoxides Sulfinyl compounds Azacyclic compounds Organochlorides Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Para-thiazine - Aryl chloride - Aryl halide - Benzenoid - Quaternary ammonium salt - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Sulfinyl compound - Amine - Organic chloride salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - 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

• Molecular Weight: 371.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 370.067 Da
• Monoisotopic Mass: 370.067 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 406.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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