2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride

• ChemBase编号: 103925
• 分子式: C17H26ClNO
• 平均质量: 295.84744
• 单一同位素质量: 295.17029214
• SMILES: Cl.OC1CCCCC1N1CCC(CC1)c1ccccc1
• Canonical SMILES: OC1CCCCC1N1CCC(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H
• InChIKey: XJNUHVMJVWOYCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride
• IUPAC传统名: vesamicol hydrochloride
• 别名: (±)-2-(4-Phenylpiperidino)cyclohexanol hydrochloride; AH-5183 hydrochloride; (±)-Vesamicol hydrochloride; AH-5183; (±)-2-(4-Phenylpiperidino) cyclohexanol; (±)-VESAMICOL; D-(+)-VESAMICOL

登记号

• CAS号: 112709-60-1; 120447-62-3
• MDL号: MFCD00055231
• PubChem SID: 162091080; 24277880
• PubChem CID: 212231

理论计算性质

• Acid pKa: 14.596863
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.2674812
• LogD (pH = 7.4): 0.69691294
• Log P: 3.1857257
• 摩尔折射率: 79.1494 cm^3
• 极化性: 31.223616 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: aqueous buffers below pH 8: soluble1 mM; DMSO: soluble; ethanol: soluble
• 外观: white solid

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: GW0765070
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... SLC18A3(6572)

产品相关信息

• 纯度: >98%
• Empirical Formula (Hill Notation): C17H25NO · HCl

详细说明

MP Biomedicals - 02153589

Hydrochloride

MP Biomedicals - 02153588

Hydrochloride

Sigma Aldrich - V100

Biochem/physiol Actions
Potent inhibitor of vesicular acetylcholine storage.