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Home › Product Catalog › 17A-hydroxyprogesterone

17A-hydroxyprogesterone

CAS 68-96-2C21H30O3MW 330.5

17A-hydroxyprogesterone (CAS 68-96-2) — formula C21H30O3, molecular weight 330.5; category organic chemicals.

Specifications

CAS Number68-96-2
Molecular FormulaC21H30O3
Molecular Weight330.5
Melting Point222-223 °C
LogP3.17
CategoryOrganic Chemicals

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What this product is

17A-hydroxyprogesterone is a carbon-based organic compound with CAS registry number 68-96-2 and molecular formula C21H30O3 (molecular weight 330.5), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 68-96-2

Its molecular formula C21H30O3 comprises 21 C, 30 H, 3 O atoms.

Also known as: 17A-hydroxyprogesterone · 17α-Hydroxyprogesterone

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 17A-hydroxyprogesterone?

The CAS registry number of 17A-hydroxyprogesterone is 68-96-2.

What is the molecular formula and molecular weight of 17A-hydroxyprogesterone?

Molecular formula C21H30O3, molecular weight 330.5.

What other names is 17A-hydroxyprogesterone known by?

It is also registered under: 17A-hydroxyprogesterone, 17α-Hydroxyprogesterone.

Which category does 17A-hydroxyprogesterone belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 17A-hydroxyprogesterone (CAS 68-96-2), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH360 (95.1%)

H360 (95.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Physical description and 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)]

Reported physical properties

熔点222-223 °C
熔点219 - 220 °C
溶解度0.00648 mg/mL
LogP3.17
Collision Cross Section187 Ų [M-H]-
Collision Cross Section186.4 Ų [M+H]+
Collision Cross Section208.9 Ų [M+Na]+

How this substance is indexed

CAS Registry Number68-96-2
PubChem CID6238
分子式C21H30O3
IUPAC 名称(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

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).

Names this substance appears under

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

Computed molecular descriptors

分子量330.5
XLogP33.2
氢键供体数1
氢键受体数3
可旋转键数1
精确质量330.21949481
单同位素质量330.21949481
拓扑极性表面积54.4
重原子数24
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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