Basic information
- CAS
62571-87-3- Standard SMILES
CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@H](N(C)C)C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C[C@@H]1O- InChIKey
NCGLTZSBTFVVAW-KNXRZYMVSA-N- Molecular formula
- C25H43NO3
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.32429423
Overview
Minaxolone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Minaxolone
- IUPAC
- 1-[(2S,3S,5S,8S,9S,10S,11R,13S,14S,17S)-11-(dimethylamino)-2-ethoxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- Minaxolone
- Molecular formula
- C25H43NO3
- Molecular weight
- 405.61
Names & synonyms
MinaxoloneMinaxolonaMinaxolonum62571-87-3C.C.I. 1292311alpha-(Dimethylamino)-2beta-ethoxy-3alpha-hydroxy-5alpha-pregnan-20-one737SKC73L0CCI-12923DTXSID201024283Pregnan-20-one, 11-(dimethylamino)-2-ethoxy-3-hydroxy-, (2beta,3alpha,5alpha,11alpha)-1-((1S,2S,4S,5S,7S,10S,11S,14S,15S,17R)-17-(dimethylamino)-4-ethoxy-5-hydroxy-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecan-14-yl)ethan-1-one1-[(1S,2S,4S,5S,7S,10S,11S,14S,15S,17R)-17-(dimethylamino)-4-ethoxy-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one
Show more names
CC-11293311α-(Dimethylamino)-2β-ethoxy-3α-hydroxy-5α-pregnan-20-onePregnan-20-one, 11-(dimethylamino)-2-ethoxy-3-hydroxy-, (2β,3α,5α,11α)-
RefChem:925915DTXCID3015085292 beta-ethoxy-3 alpha-hydroxy-11 alpha-dimethylamino-5 alpha-pregnan-20-one1-((2S,3S,5S,10S,11R,13S,17S)-11-Dimethylamino-2-ethoxy-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta(a)phenanthren-17-yl)-ethanone1-[(2S,3S,5S,8S,9S,10S,11R,13S,14S,17S)-11-(dimethylamino)-2-ethoxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneMinaxolonum [INN-Latin]Minaxolona [INN-Spanish]Minaxolone [USAN:INN:BAN]
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- Boiling point
- 502.3 · 502.3±50.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.70(Predicted)
- FDA UNII
- 737 SKC73L0 · 737SKC73L0
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
UsesAnesthetic.
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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