Basic information
- CAS
23930-37-2- Standard SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
QRJOQYLXZPQQMX-FWROMSNXSA-N- Molecular formula
- C23H34O5
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.24062418
Overview
Acetic acid [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Alfadolone Acetate
- IUPAC
- [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 3alpha,21-dihydroxy-5alpha-pregnane-11,20-dione 21-acetate
- Molecular formula
- C23H34O5
- Molecular weight
- 390.51306
Names & synonyms
Alfadolone acetateAlphadolone acetate23930-37-2DTXSID704544300TN4GS00SEINECS 245-942-5ALFADOLONE ACETATE [MI][2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateDTXCID5025443ALFADOLONE ACETATE [MART.]ALFADOLONE ACETATE [WHO-DD](3-alpha,5-alpha)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione
Show more names
GR 2GR-2GR2R-140GR-2/1574Aalfadolone acetateAlphadolone 21-Acetate21-Acetoxy-3α-hydroxy-5α-pregnane-11,20-dione5α-PREGNAN-3α, 21-DIOL-11, 20-DIONE 21-ACETATE
5-alpha-Pregnane-11,20-dione, 3-alpha,21-dihydroxy-, 21-acetatePregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3.alpha.,5.alpha.)-ALFADOLONE ACETATE (MART.)Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3-alpha,5-alpha)-(2-((3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2-oxoethyl) acetateRefChem:553952Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3alpha,5alpha)-3alpha,21-Dihydroxy-5alpha-pregnane-11,20-dione 21-acetate
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Melting point
- 175 · 175-177°
- alpha
- 26 · D26 +97° (c = 1.02 in chloroform)
- Boiling point
- 523.6 · 523.6±50.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 0 TN4GS00S · 00TN4GS00S
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationAlphadolone acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.
Endogenous compounds or drugs that affect neuronal excitability through modulation of specific ionotropic receptors (e.g., GABA-A RECEPTORS). Endogenous neurosteroids are steroid hormones de novo synthesized by neurons and glial cells from steroid metabolite precursors (e.g., PREGNENOLONE).
Applications
UsesAlphadolone acetate (Alfadolone acetate) is a steroid agent that can suppress or relieve pain, with antinociception[1].
Suppliers14 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
Hunan Yuanye Pharmaceutical Co., Ltd.+86-19907491289 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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