基本情報
- CAS
83002-04-4- 標準SMILES
CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1- InChIKey
YNZFFALZMRAPHQ-SYYKKAFVSA-N- 分子式
- C24H40O3
- 平均分子量
- 376.6 g/mol
- 単同位体質量
- 376.29774513
概要
2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Cannabimimetic agents substance.
名称と識別子
- 優先名称
- CP-55940
- IUPAC
- 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
- 現地名
- rel-5-(1,1-ジメチルヘプチル)-2-[(1R*,2R*,5R*)-5-ヒドロキシ-2-(3-ヒドロキシプロピル)シクロヘキサン-1-イル]フェノール
- 英語名
- CP 55940
- 分子式
- C24H40O3
- 分子量
- 376.57
名称と別名
CP55940CP-55940CP55,940CP-55,9408YX8JK1BQGKFY70972J5CP 55,940J259.891DCP 559405-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenolPhenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel-Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)-
名称をさらに表示
rel-5-(1,1-ジメチルヘプチル)-2-[(1R*,2R*,5R*)-5-ヒドロキシ-2-(3-ヒドロキシプロピル)シクロヘキサン-1-イル]フェノールrel-(1R*,3R*,4R*)-3-[4-(1,1-ジメチルヘプチル)-2-ヒドロキシフェニル]-4-(3-ヒドロキシプロピル)シクロヘキサン-1-オール3-(2-Hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenolPhenol, 5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-Phenol, 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1alpha,2beta,5alpha)-RefChem:5288952-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol83002-04-483003-12-7[3H]CP55940
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 60.7 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 10
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 408
実験および物理化学的性質
DrugsDEA Schedule I Controlled Substance -> Cannabimimetic agents
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 494.4 · 494.4±45.0 °C(Predicted)
- 比重(密度)
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- 溶解性
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 10.25 · 10.25±0.40(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P304+P340, P319, P403+P233, 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.
危険有害性情報
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesSTOT SE 3 (100%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
サプライヤー3 社
池州凯隆进出口贸易有限公司[email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
ChemeGen 中国18818260767 · [email protected]
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