Prothipendyl Hydrochloride , CAS No.1225-65-6

CAS: 1225-65-6 Cat. No.: P1343405 EC Number: 214-958-4 PubChem CID: 14669

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Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl
• IUPAC Name: N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
• InChIKey: CQJSAKJMCVSEGU-UHFFFAOYSA-N
• INCHI: 1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H
• Isomeric SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl
• Alternate CAS: 1225-65-6,303-69-5 (Parent)
• PubChem CID: 14669
• MeSH Entry Terms: Dominal;prothipendyl;prothipendyl hydrochloride

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Diarylthioethers Benzothiazines Pyridines and derivatives Imidolactams Benzenoids 1,4-thiazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Diarylthioether - Benzothiazine - Aryl thioether - Para-thiazine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Azacycle - Thioether - Organoheterocyclic compound - Organopnictogen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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: 321.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 321.107 Da
• Monoisotopic Mass: 321.107 Da
• Topological Polar Surface Area: 44.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• 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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