Fluorogestone acetate - ≥99% , CAS No.2529-45-5

CAS: 2529-45-5 Cat. No.: F651792 Molecular Weight: 406.49 EC Number: 219-776-9 PubChem CID: 10476437

GRADE & PURITY ≥99%

Synonyms

(10E,12Z)-hexadecandien-1-ol | A817767 | D04235 | NCGC00160534-01 | 9alpha-Fluoro-11-hydroxy,17alpha-acetoxy progesterone | Flugestone 17-acetate | S-Lipoate | 4-08-00-02904 (Beilstein Handbook Reference) | Flugestone Acetate | MFCD00243094 | AKOS01589629

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Fluorogestone acetate is a progesterone compound. Fluorogestone acetate inhibits ovulation and synchronizes the estrous cycle in cattle by inhibiting the release of luteinizing hormone (LH) from the pituitary gland.

Form:Solid

Specifications

Synonyms

(10E, 12Z)-hexadecandien-1-ol | A817767 | D04235 | NCGC00160534-01 | 9alpha-Fluoro-11-hydroxy, 17alpha-acetoxy progesterone | Flugestone 17-acetate | S-Lipoate | 4-08-00-02904 (Beilstein Handbook Reference) | Flugestone Acetate | MFCD00243094 | AKOS01589629

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Fluorogestone acetate is a progesterone compound. Fluorogestone acetate inhibits ovulation and synchronizes the estrous cycle in cattle by inhibiting the release of luteinizing hormone (LH) from the pituitary gland.

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)OC(=O)C
• IUPAC Name: [(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
• InChIKey: JKQQZJHNUVDHKP-FQJIPJFPSA-N
• INCHI: 1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C
• PubChem CID: 10476437
• Molecular Weight: 406.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: Steroid esters 20-oxosteroids 11-beta-hydroxysteroids 3-oxo delta-4-steroids Halogenated steroids Delta-4-steroids Alpha-acyloxy ketones Cyclohexenones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Fluorohydrins Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Alpha-acyloxy ketone - Cyclic alcohol - Carboxylic acid ester - Cyclic ketone - Fluorohydrin - Secondary alcohol - Halohydrin - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Alkyl halide - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: corticosteroid hormone

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

• Solubility: DMSO : 7.14 mg/mL (17.57 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 406.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 406.216 Da
• Monoisotopic Mass: 406.216 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 820.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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