Pramipexole diHCl , CAS No.9964861

CAS: 9964861 Cat. No.: P929524 Summenformel: C₁₀H₁₈ClN₃S Molekulargewicht: 247.790

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl

IUPAC Name

(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride

InChIKey

YLOYRMPMRZXEMW-FJXQXJEOSA-N

INCHI

1S/C10H17N3S.ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H/t7-;/m0./s1

Molekulargewicht

247.790

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Primary amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 247.790 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 247.091 Da
• Monoisotopic Mass: 247.091 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 188.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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