(4aR,8aR)-5-propyl-1H,4H,4aH,5H,6H,7H,8H,8aH,9H-pyrido[2,3-f]indazole dihydrochloride

• ChemBase编号: 155374
• 分子式: C13H23Cl2N3
• 平均质量: 292.24782
• 单一同位素质量: 291.12690311
• SMILES: CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2.Cl.Cl
• Canonical SMILES: CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2.Cl.Cl
• InChI: InChI=1S/C13H21N3.2ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;;/h9-10,13H,2-8H2,1H3,(H,14,15);2*1H/t10-,13-;;/m1../s1
• InChIKey: GJIGRGIGKHPYTK-OWVUFADGSA-N

名称和登记号

名称

• IUPAC标准名: (4aR,8aR)-5-propyl-1H,4H,4aH,5H,6H,7H,8H,8aH,9H-pyrido[2,3-f]indazole dihydrochloride
• IUPAC传统名: quinpirole dihydrochloride
• 别名: trans-(±)-4,4a,5,6,7,8,8a,9-Octahydro-5-propyl-1H-pyrazolo[3,4-g]quinoline dihydrochloride; LY-141,865; (±)-Quinpirole dihydrochloride

登记号

• CAS号: 73625-62-4
• MDL号: MFCD01321054
• PubChem SID: 162249512; 24278670
• PubChem CID: 3057788

理论计算性质

• Acid pKa: 15.385346
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.420503
• LogD (pH = 7.4): -0.44365028
• Log P: 2.0311446
• 摩尔折射率: 67.269 cm^3
• 极化性: 25.464842 Å^3
• 极化表面积: 31.92 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: H2O: soluble28 mg/mL
• 外观: white powder

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... DRD2(1813)

产品相关信息

• Empirical Formula (Hill Notation): C13H21N3 · 2HCl

详细说明

Sigma Aldrich - Q111

Biochem/physiol Actions
D2-like dopamine receptor agonist that possesses some activity at D3 sites.
Legal Information
Manufactured and sold with the permission of Eli Lilly and Company.