5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one hydrochloride

• ChemBase编号: 68563
• 分子式: C21H22Cl2N4OS
• 平均质量: 449.39658
• 单一同位素质量: 448.0891377
• SMILES: N1C(=O)Cc2cc(c(cc12)Cl)CCN1CCN(CC1)c1nsc2c1cccc2.Cl
• Canonical SMILES: O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2.Cl
• InChI: InChI=1S/C21H21ClN4OS.ClH/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;/h1-4,11,13H,5-10,12H2,(H,23,27);1H
• InChIKey: NZDBKBRIBJLNNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one hydrochloride
• IUPAC传统名: ziprasidone hydrochloride
• 别名: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride; Geodon; Zeldox; Ziprasidone hydrochloride

登记号

• CAS号: 138982-67-9; 122883-93-6
• PubChem SID: 162034294
• PubChem CID: 219099

理论计算性质

• Acid pKa: 13.181678
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.7102394
• LogD (pH = 7.4): 4.1316934
• Log P: 4.3040466
• 摩尔折射率: 116.7248 cm^3
• 极化性: 44.12495 Å^3
• 极化表面积: 48.47 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• 保存注意事项: IRRITANT
• TSCA收录: false

药理学性质

• 作用靶点: Neurological Disease

产品相关信息

• 纯度: 95+%
• 成盐信息: Hydrochloride

详细说明

Selleck Chemicals - S1444

Research Area: Neurological Disease
Biological Activity:
Ziprasidone (Geodon, Zeldox) was the fifth atypical antipsychotic to gain FDA approval. In the United States, Ziprasidone is approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania and mixed states associated with bipolar disorder. [1]

参考文献

• en.wikipedia.org/wiki/Ziprasidone_hydrochloride