1-(1-phenylcyclohexyl)pyrrolidine

• ChemBase编号: 1334
• 分子式: C16H23N
• 平均质量: 229.36052
• 单一同位素质量: 229.18304974
• SMILES: N1(C2(CCCCC2)c2ccccc2)CCCC1
• Canonical SMILES: C1CCC(CC1)(N1CCCC1)c1ccccc1
• InChI: InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2
• InChIKey: FYOWWXMGDATDQY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-phenylcyclohexyl)pyrrolidine
• IUPAC传统名: rolicyclidine
• 别名: PCPy; 1-(1-phenylcyclohexyl)pyrrolidine; Rolicyclidinum [INN-Latin]; Roliciclidina [INN-Spanish]; DEA No. 7458; Pyrrolidine analog of phencyclidine; Rolicyclidine; 1-(1-Phenylcyclohexyl)pyrrolidine Hydrochloride; Rolicyclidine Hydrochloride

登记号

• CAS号: 2201-39-0; 1934-48-1
• PubChem SID: 160964794; 46507433
• PubChem CID: 62436

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.5492235
• LogD (pH = 7.4): 0.9067703
• Log P: 4.0434794
• 摩尔折射率: 73.0455 cm^3
• 极化性: 28.880377 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.54
• LOG S: -3.98
• 溶解度: 2.39e-02 g/l

分子性质

理化性质

• 溶解度: Methanol
• 外观: Pale Pink Solid
• 熔点: 222-225°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

DrugBank - DB01549

• Drug Groups: illicit; experimental
• Description: Rolicyclidine (PCPy) is a dissociative anesthetic drug with hallucinogenic and sedative effects. Due to its similarity in effects to PCP, PCPy was placed into the Schedule I list of illegal drugs in the 1970s, although it has never been widely abused and is now little known.
• Indication: Rolicyclidine has anesthetic properties and can induce a sedative effect.
• Pharmacology: Rolicyclidine is similar in effects to phencyclidine but is slightly less potent and has less stimulant effects. Instead it acts by inducing a sedative effect described as being somewhat similar to a barbiturate, but with additional PCP-like dissociative, anaesthetic and hallucinogenic effects.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia

Toronto Research Chemicals - R639900

An analog of the hallucinogen Phencyclidine (P295500).

参考文献

• Maddox, V.H., et al.: J. Med. Chem., 8, 230 (1965)