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

CAS: 74513-62-5 Cat. No.: T346137 Summenformel: C₂₂H₃₀O₃ Molekulargewicht: 342.47 EG-Nummer: 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

Synonyme

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

AGONIST

Mechanismus der Wirkung

Progesterone receptor agonist

Produkteigenschaften

• ALogP: 2.6

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere 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
• Molekulargewicht: 342.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74513-62-5, the molecular formula is C22H30O3, and the molecular weight is 342.47 g/mol. InChIKey JUNDJWOLDSCTFK-MTZCLOFQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.