6beta-Hydroxyprogesterone
Basic information
- CAS
604-19-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PWCLWZOSAFOXFL-CXICGXRGSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
6beta-hydroxyprogesterone is a 3-oxo-4-steroid that is progesterone in which the hydrogen at the 6beta-position is substituted by a hydroxy group. It is a 6beta-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid.
Names & identifiers
- Preferred name
- 6beta-Hydroxyprogesterone
- IUPAC
- (6R,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
- 4-Pregnen-6-beta-ol-3,20-dione
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
6beta-Hydroxyprogesterone604-19-3(6beta)-6-hydroxypregn-4-ene-3,20-dioneCHEBI:62117RefChem:10741596-beta-Hydroxyprogesterone6b-Hydroxy Progesterone (>80%)6beta-hydroxydeoxycorticosterone(6R,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-one3,20-dioxopregn-4-en-6beta-ol6beta-hydroxy-4-pregnen-3,20-dione6beta-hydroxy-4-pregnene-3,20-dione
Show more names
sMallestβ-hydroxyprogesterone6β-Hydroxy ProgesteroneBeta-hydroxyprogesterone4-Pregnen-6β-ol-3,20-dione4-PREGNEN-6β-OL-3, 20-DIONE6β-hydroxypregn-4-en-3,20-dine6β-Hydroxy Progesterone (>80%)
(6R,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)-oneProgesterone Impurity 16BRN 32189966-beta-Hydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 6-beta-hydroxy-U 276056beta-Hydroxypregn-4-ene-3,20-dione6beta-Hydroxy progesterone
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
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 157 · 157-159°C
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.97 · 13.97±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Metabolism/Metabolites6beta-hydroxy-progesterone is a known human metabolite of progesterone.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
Uses6β-Hydroxy Progesterone is a metabolite of Progesterone (P755900).
Additional notes
DefinitionChEBI: A 3-oxo-Delta4-steroid that is progesterone in which the hydrogen at the 6beta-position is substituted by a hydroxy group.
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Compound notes
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