(2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride

• ChemBase编号: 131442
• 分子式: C28H41ClN2O5
• 平均质量: 521.08854
• 单一同位素质量: 520.2704001
• SMILES: CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c1cc(c(c(c1)OC)OC)OC.Cl
• Canonical SMILES: COc1ccc(cc1OC)CCN(CCCC(c1cc(OC)c(c(c1)OC)OC)(C(C)C)C#N)C.Cl
• InChI: InChI=1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H/t28-;/m1./s1
• InChIKey: OKCRIUNHEQSXFD-LNLSOMNWSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride; 5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
• IUPAC传统名: (2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride; galloβ hydrochloride
• 别名: (±)-α-[3-[(2-(3,4-二甲氧基苯基)乙基)甲氨基]丙基]-3,4,5-三甲氧基-α-(1-甲基乙基)苯乙腈 盐酸盐; 戈洛帕米; (±)-甲氧基维拉帕米 盐酸盐; (-)-Methoxyverapamil hydrochloride; D 600; (±)-Methoxyverapamil hydrochloride

登记号

• CAS号: 36622-40-9; 16662-47-8
• MDL号: MFCD00069306; MFCD00058000
• PubChem SID: 24896623; 24277852; 162225720
• PubChem CID: 71308442

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 1.4670047
• LogD (pH = 7.4): 2.6300333
• Log P: 4.8855147
• 摩尔折射率: 139.1111 cm^3
• 极化性: 54.058174 Å^3
• 极化表面积: 73.18 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble
• 比旋光度: [α]26/D -11.7°, c = 5.04 in ethanol(lit.)

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

产品相关信息

• 纯度: ≥98%

详细说明

Sigma Aldrich - M118

Biochem/physiol Actions
Ca2+ channel (L-type) antagonist; active enantiomer of methoxyverapamil.
Caution
Photosensitive

Sigma Aldrich - M115

Biochem/physiol Actions
阻断 L 型 Ca2+ 通道

Sigma Aldrich - M5644

Biochem/physiol Actions
阻断 L 型 Ca2+ 通道