[3-(2-chloro-10H-phenothiazin-10-yl)propyl]bis(2H3)methylamine hydrochloride

• ChemBase编号: 157443
• 分子式: C17H20Cl2N2S
• 平均质量: 355.3251
• 单一同位素质量: 354.07242501
• SMILES: CN(CCCN1c2ccccc2Sc2c1cc(cc2)Cl)C.Cl
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C.Cl
• InChI: InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
• InChIKey: FBSMERQALIEGJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(2-chloro-10H-phenothiazin-10-yl)propyl]bis(^2H₃)methylamine hydrochloride
• IUPAC传统名: [3-(2-chlorophenothiazin-10-yl)propyl]bis(^2H₃)methylamine hydrochloride
• 别名: 2-氯-10-(3-二甲基-d6-氨基丙基)吩噻嗪; 氯丙嗪-d6 盐酸盐; 2-Chloro-10-(3-dimethyl-d6-aminopropyl)phenothiazine; Chlorpromazin-d6 hydrochloride; 2-Chloro-N,N-(dimethyl-d6)-10H-phenothiazine-10-propanamine Hydrochloride; 2-Chloro-10-[3-(dimethylamino-d6)propyl]phenothiazine Hydrochloride; Klorproman-d6; Marazine-d6; Norcozine-d6; Torazina-d6; Tranzene-d6; Chlorpromazine-d6 Hydrochloride

登记号

• CAS号: 1228182-46-4
• MDL号: MFCD16652563
• PubChem SID: 162251580
• PubChem CID: 71312495

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2476761
• LogD (pH = 7.4): 2.739641
• Log P: 4.5350003
• 摩尔折射率: 93.7563 cm^3
• 极化性: 35.9708 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: Off-White Solid
• 熔点: 187-189°C
• 质量偏移: M+6

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 德国WGK号: 3
• 危险公开号: 25-26
• 安全公开号: 28-36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H330
• GHS警示性声明: P260-P284-P301 + P310-P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C17D6H13ClN2S·HCl

详细说明

Sigma Aldrich - 32554

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - C424752

Labelled Chlorpromazine (C424750). Used as an antiemetic; antipsychotic.

参考文献

• Anden, N.-E., et al.: Eur. J. Pharmacol., 11, 303 (1970)
• Curzon, G., et al.: Trends Pharmacol. Sci., 11, 61 (1970)