Basic information
- CAS
145-15-3- Standard SMILES
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
RWBRUCCWZPSBFC-SJOKZOANSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Overview
(20R)-20-hydroxypregn-4-en-3-one is a 20-hydroxypregn-4-en-3-one.
Names & identifiers
- Preferred name
- 20beta-Hydroxyprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 4-PREGNEN-20-BETA-OL-3-ONE
- Molecular formula
- C21H32O2
- Molecular weight
- 316.48
Names & synonyms
145-15-3(20R)-20-Hydroxypregn-4-en-3-one20-beta-ProgerolProgesterol-20-beta20-beta-Dihydroprogesterone20-beta-Hydroxyprogesterone20.beta.-Progerol4-Pregnen-2-beta-ol-3-oneProgesterol-20.beta.Pregn-4-en-3-one, 20-hydroxy-, (20R)-20beta-Hydroxypregn-4-en-3-one20-beta-Hydroxydihydroprogesterone
Show more names
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneProgesterone EP IMP C(20-r)-pregn-4-en-3-on4-pregnen-20B-ol-3-one4-PREGNEN-20β-OL-3-ONEVitamin B6 Impurity 60Pregn-4-en-20β-ol-3-one202-Dihydroprogesterone
20beta-Hydroxyprogesterone20-beta-Hydroxypregn-4-en-3-one20beta-Hydroxy-pregn-4-en-3-oneEINECS 205-650-067N4JZ6CHL20.beta.-HydroxyprogesteronePregn-4-en-3-one, 20-beta-hydroxy-20R-hydroxypregn-4-en-3-one
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 550
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 451.7 · 451.7±14.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), Meth
- form
- Solid
- pka
- 15.05 · 15.05±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 67 N4JZ6CHL · 67N4JZ6CHL
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H341
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesCarc. 2 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H341
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses20β-Dihydroprogesterone (Progesterone EP Impurity C) is an impurity of Progesterone (P755900), a steroid hormone secreted by the corpus luteum. Progesterone have various significant physiological roles, such as inducing the maturation and secretory activities of the uterine endothelium and the suppression of ovulation. Progesterone is also implicated in the etiology of breast cancer.
Uses20β-Dihydroprogesterone is an impurity of Progesterone (P755900), a steroid hormone secreted by the corpus luteum. Progesterone have various significant physiological roles, such as inducing the matur ation and secretory activities of the uterine endothelium and the suppression of ovulation. Progesterone is also implicated in the etiology of breast cancer.
Suppliers65 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
上海科骊科生物技术有限公司021-34975789 18721102763
广州隽唐科技有限公司
Related reactions
1 records
Compound notes
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