17A-羟基孕酮

Description

17A-hydroxyprogesterone · CAS 68-96-2 · C21H30O3. UNII 21807M87J2. Melting Point: 222-223 °C; Melting Point: 219 - 220 °C; Solubility: 0.00648 mg/mL.

Identification

CAS Registry Number	68-96-2
PubChem CID	6238
Molecular formula	C21H30O3
IUPAC name	(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
UNII (FDA)	21807M87J2

Computed Descriptors

Molecular Weight	330.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	330.21949481
Monoisotopic Mass	330.21949481
Topological Polar Surface Area	54.4
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Melting Point	222-223 °C
Melting Point	219 - 220 °C
Solubility	0.00648 mg/mL
LogP	3.17
Collision Cross Section	187 Ų [M-H]-
Collision Cross Section	186.4 Ų [M+H]+
Collision Cross Section	208.9 Ų [M+Na]+

Physical description & handling notes

• Solid
• RHOMBIC OR HEXAGONAL LEAFLETS FROM ACETONE OR ALCOHOL
• CRYSTALS SHOULD NOT BE EXPOSED TO HEAT & LIGHT /CAPROATE/
• SPECIFIC OPTICAL ROTATION (CHLOROFORM, 1.0417%): +105.6 DEG @ 17 °C/D
• 184.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6040747]
• 183.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

GHS Hazard Classification

Reported hazard statements	H360 (95.1%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >25
• Consumption (g per capita; approx.) in Germany (2009): 0.000305
• This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
• Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
• HYDROXYPROGESTERONE IS ESTERIFIED BY HEATING WITH CAPROIC ANHYDRIDE IN PRESENCE OF P-TOLUENE-SULFONIC ACID UNDER ATMOSPHERE OF NITROGEN. US PATENT 2,753,360. /CAPROATE/
• JULIAN ET AL, US PATENT 2,648,662 (1953 TO GLIDDEN)...STORK ET AL, US PATENTS 2,802,839 & 2,805,203 (BOTH 1957 TO SYNTEX)...DULANEY, MCALEER; US PATENTS 2,777,843; 2,786,856/7; 2,813,060 (ALL 1957 TO MERCK & CO)...PEDERSON, US PATENT 3,000,883 (1961 TO UPJOHN).

Synonyms

hydroxyprogesterone; 68-96-2; 17ALPHA-HYDROXYPROGESTERONE; 17-Hydroxyprogesterone; Prodix; Prodox; Gestageno gador; 17-alpha-Hydroxyprogesterone; 17-Hydroxypregn-4-ene-3,20-dione; Gestageno; Hidroxiprogesterona; Hydroxyprogesteronum; 17alpha-Hydroxy-4-pregnene-3,20-dione; 17-OH Progesterone; delta(4)-Pregnene-17alpha-ol-3,20-dione; 17alpha-Hydroxy-progesterone

Frequently Asked Questions

What are the CAS number and molecular formula of 17A-hydroxyprogesterone?

CAS 68-96-2; molecular formula C21H30O3; molecular weight — g/mol.

What other names is 17A-hydroxyprogesterone known by?

hydroxyprogesterone, 68-96-2, 17ALPHA-HYDROXYPROGESTERONE, 17-Hydroxyprogesterone, Prodix, Prodox.

Is 17A-hydroxyprogesterone classified as hazardous?

Hazard statements reported: H360.

What are the key physical properties of 17A-hydroxyprogesterone?

Melting Point: 222-223 °C; Melting Point: 219 - 220 °C; Solubility: 0.00648 mg/mL; LogP: 3.17.

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.