Basic information
- CAS
604-20-6- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PWCLWZOSAFOXFL-ADDDSGAWSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
RN given refers to (6alpha)-isomer
Names & identifiers
- Preferred name
- 6-Hydroxyprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 6-hydroxyprogesterone
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
6-Hydroxyprogesterone604-20-6RefChem:1048466-Hydroxypregn-4-ene-3,20-dione(8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSCHEMBL37470Hydroxyprogesterone Impurity 1(6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-onePregn-4-ene-3,20-dione, 6-hydroxy-, (6alpha)-(8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one7488-73-5Pregnandiol impurity
Show more names
6α-Hydroxy Progesterone6a-Hydroxy Progesterone6-alfa-Hydroxy Progesterone6α-Hydroxy Progesterone (>80%)6a-Hydroxy Progesterone (>80%)6alpha-Hydroxy Progesterone (>80%)Progesterone 6-alfa-Hydroxy Impurity(6α)-6-Hydroxypregn-4-ene-3,20-dione
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- Melting point
- 155 °C · >155°C (dec.)
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Sonicated), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.97 · 13.97±0.70(Predicted)
- color
- White to Pale Beige
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Applications
Uses6α-Hydroxy Progesterone is a metabolite of Progesterone (P755900).
Suppliers41 total
天津始加生物医药科技有限公司15022261580 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [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020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…