基本情報
- CAS
62571-87-3- 標準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- 分子式
- C25H43NO3
- 平均分子量
- 405.6 g/mol
- 単同位体質量
- 405.32429423
概要
Minaxolone is a corticosteroid hormone.
名称と識別子
- 優先名称
- 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
- 現地名
- ミナキソロン
- 英語名
- Minaxolone
- 分子式
- C25H43NO3
- 分子量
- 405.61
名称と別名
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
名称をさらに表示
11α-(ジメチルアミノ)-2β-エトキシ-3α-ヒドロキシ-5α-プレグナン-20-オンミナキソロン1-[(1S,3aS,3bS,5aS,7S,8S,9aS,9bS,10R,11aS)-10-(ジメチルアミノ)-8-エトキシ-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン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]
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 636
物理化学的性質
- 沸点
- 502.3 · 502.3±50.0 °C(Predicted)
- 比重(密度)
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.47 · 14.47±0.70(Predicted)
化学と産業
薬理情報
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).
応用分野
使用Anesthetic.
サプライヤー1 社
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
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