(5R)-8-chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride

• ChemBase编号: 132150
• 分子式: C17H19Cl2NO
• 平均质量: 324.24486
• 单一同位素质量: 323.08436959
• SMILES: CN1CCc2cc(c(cc2[C@H](C1)c1ccccc1)O)Cl.Cl
• Canonical SMILES: CN1CCc2c([C@H](C1)c1ccccc1)cc(c(c2)Cl)O.Cl
• InChI: InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1
• InChIKey: OYCAEWMSOPMASE-XFULWGLBSA-N

名称和登记号

名称

• IUPAC标准名: (5R)-8-chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride
• IUPAC传统名: (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride
• 别名: R(+)-7-Chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride; R(+)-SCH-23390 hydrochloride; (5R)-8-Chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol Hydrochloride; (R)-Sch 23390 Hydrochloride; (R)-(+)-Sch 23390 Hydrochloride

登记号

• CAS号: 125941-87-9
• MDL号: MFCD00069249
• PubChem SID: 162226427; 24277910
• PubChem CID: 11957535

理论计算性质

• Acid pKa: 7.7272134
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1550401
• LogD (pH = 7.4): 2.7690248
• Log P: 3.0575705
• 摩尔折射率: 84.0176 cm^3
• 极化性: 32.255955 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: >5 mg/mL
• 外观: white solid
• 比旋光度: [α]/D +32.1°, c = 1 in DMF(lit.)

安全信息

• 保存条件: protect from light
• 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 ... DRD1(1812)

产品相关信息

• 纯度: ≥98% (HPLC)

详细说明

Sigma Aldrich - D054

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
R(+)-SCH-23390 hydrochloride is a selective D1 dopamine receptor antagonist.
Legal Information
Sold with the permission of Schering-Plough.

Sigma Aldrich - C0206

Biochem/physiol Actions
Selective D1 dopamine receptor antagonist

Toronto Research Chemicals - S199925

A selective dopamine D1 receptor antagonist.

参考文献

• Hiroi, N., et al.: Brain Res., 552, 141 (1991)
• Kafka, S., et al.: Eur. J .Pharmacol., 295, 147 (1991)
• Meririnne, E., et al.: J. Pharmacol. Exp. Ther., 298, 539 (1991)