N-Dimethylaminoprostaglandin F2alpha , CAS No.67508-09-2

CAS: 67508-09-2 Cat. No.: N1257055 Peso molecular: 367.6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

ANTAGONIST

Nombres e identificadores

• Sonrisas canónicas: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCCN(C)C)O)O)O
• IUPAC Name: (1R,3S,4R,5R)-4-[(Z)-7-(dimethylamino)hept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
• InChIKey: VNLQPSLXSAMMMJ-PIOKUXGXSA-N
• INCHI: 1S/C22H41NO3/c1-4-5-9-12-18(24)14-15-20-19(21(25)17-22(20)26)13-10-7-6-8-11-16-23(2)3/h7,10,14-15,18-22,24-26H,4-6,8-9,11-13,16-17H2,1-3H3/b10-7-,15-14+/t18-,19+,20+,21-,22+/m0/s1
• Peso molecular: 367.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Trialkylamines Cyclic alcohols and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• External Descriptors: Prostaglandins

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

Propiedades químicas y físicas

• Peso molecular: 367.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 367.309 Da
• Monoisotopic Mass: 367.309 Da
• Topological Polar Surface Area: 63.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1