Opromazine - ≥95% , CAS No.969-99-3

CAS: 969-99-3 Cat. No.: O1069350 Summenformel: C₁₇H₁₉ClN₂OS Molekulargewicht: 334.86 EG-Nummer: 642-086-8 PubChem CID: 70413

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
• IUPAC Name: 3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
• InChIKey: QEPPAOXKZOTMPM-UHFFFAOYSA-N
• INCHI: 1S/C17H19ClN2OS/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
• Isomere SMILES: CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
• PubChem CID: 70413
• Molekulargewicht: 334.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Benzenoids Aryl chlorides 1,4-thiazines Trialkylamines Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Para-thiazine - Aryl chloride - Aryl halide - Benzenoid - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 334.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 334.091 Da
• Monoisotopic Mass: 334.091 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 22
• 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: 1

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