Trimegestone , Progesterone receptor agonist, CAS No.74513-62-5, Progesterone receptor agonist

CAS: 74513-62-5 Cat. No.: T346137 Molecular Weight: 342.47 EC Number: 662-727-5 PubChem CID: 68926

Synonyms

Ondeva | TRIMEGESTONE [USAN] | RU 27987 | SCHEMBL518768 | Trimegestone [INN] | Trimegestone (USAN/INN) | CHEBI:136027 | (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | HY-1068

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Ondeva | TRIMEGESTONE [USAN] | RU 27987 | SCHEMBL518768 | Trimegestone [INN] | Trimegestone (USAN/INN) | CHEBI:136027 | (8S, 13S, 14S, 17S)-17-[(2S)-2-hydroxypropanoyl]-13, 17-dimethyl-1, 2, 6, 7, 8, 11, 12, 14, 15, 16-decahydrocyclopenta[a]phenanthren-3-one | HY-1068

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

AGONIST

Mechanism of action

Progesterone receptor agonist

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: CC(C(=O)C1(CCC2C1(CCC3=C4CCC(=O)C=C4CCC23)C)C)O
• IUPAC Name: (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: JUNDJWOLDSCTFK-MTZCLOFQSA-N
• INCHI: 1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)O
• PubChem CID: 68926
• Molecular Weight: 342.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Oxosteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Oxosteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 20-oxosteroids
• Alternative Parents: 3-oxosteroids Cyclohexenones Acyloins Alpha-hydroxy ketones Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 20-oxosteroid - 3-oxosteroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
• 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: 342.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 342.219 Da
• Monoisotopic Mass: 342.219 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 700.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 1