孕二烯酮

Description

Gestodene · CAS 60282-87-3 · C21H26O2. UNII 1664P6E6MI. Melting Point: 197.9; Melting Point: 197.9 °C; LogP: 3.45.

Identification

CAS Registry Number	60282-87-3
PubChem CID	3033968
Molecular formula	C21H26O2
IUPAC name	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
UNII (FDA)	1664P6E6MI

Computed Descriptors

Molecular Weight	310.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	310.193280068
Monoisotopic Mass	310.193280068
Topological Polar Surface Area	37.3
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Melting Point	197.9
Melting Point	197.9 °C
LogP	3.45

Physical description & handling notes

• Solid
• Crystals from acetone-hexane
• Optical rotation= -185.7 (for the sodium D line)
• When heated to decomposition it emits acrid smoke and irritating fumes.
• Oral: Tablets: 30 ug ethinylestradiol and 50 ug gestodene, Triadene (Bayer plc).
• Gestodene is available commercially as a component of combination tablets with ethinylestradiol.

GHS Hazard Classification

Reported hazard statements	H351 (28.4%), H360 (51.1%), H361 (46.6%), H362 (29.5%), H400 (28.4%), H410 (28.4%)

Documented Uses

• ... a progestogen hormonal contraceptive
• Use (kg) in Switzerland (2009): >1
• Consumption (g per capita) in Switzerland (2009): 0.00013
• Prepn: Belg. pat. 847,090; H. Hofmeister et al., U.S. pat. 4,081,537 (1977, 1978 both to Schering AG).
• It can be prepared from the 17-keto steriod [18-methylestrone methyl ether] in a multistep synthesis involving palladium-catalysed conversion of its enol ether to an enone, reduction to the corresponding allylic alcohol, partial reduction of the aromatic ring, regeneration of the enone and ethinylation.
• ...manufactured or formulated in Argentina, Austria, Belgium, Brazil, Finland, France, Germany, Mexico, the Netherlands, New Zealand, Portugal, South Africa, Spain, Switzerland and the United Kingdom.

Synonyms

GESTODENE; 60282-87-3; Gestoden; Gestodeno; SH B 331; Gestodenum; DTXSID6046478; SH-B-331; 1664P6E6MI; DTXCID4026478; 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one; 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-; Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-; 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one; RefChem:639914; 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one

Frequently Asked Questions

What are the CAS number and molecular formula of Gestodene?

CAS 60282-87-3; molecular formula C21H26O2; molecular weight — g/mol.

What other names is Gestodene known by?

GESTODENE, 60282-87-3, Gestoden, Gestodeno, SH B 331, Gestodenum.

Is Gestodene classified as hazardous?

Hazard statements reported: H351, H360, H361, H362, H400.

What are the key physical properties of Gestodene?

Melting Point: 197.9; Melting Point: 197.9 °C; LogP: 3.45.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.