• ChemBase编号: 2379
• 分子式: C54H53F8N7Ru++
• 平均质量: 1053.1027456
• 单一同位素质量: 1053.32781949
• SMILES: CC1CCN2C(C1)C1CC(Cc3c(F)c(F)c(c(F)c3F)c3c(F)c(F)c(N[C@H]4[C@@H]5C[C@@H]6C[C@@H](C5)C[C@@H]4C6)c(F)c3F)CCN1[Ru+2]132(n2ccccc2=c2ccccn12)n1ccccc1=c1ccccn31
• Canonical SMILES: CC1CCN2C(C1)C1CC(CCN1[Ru+2]132(n2ccccc2=c2n3cccc2)n2ccccc2=c2n1cccc2)Cc1c(F)c(F)c(c(c1F)F)c1c(F)c(F)c(c(c1F)F)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C2)C3
• InChI: InChI=1S/C34H37F8N3.2C10H8N2.Ru/c1-14-2-4-43-21(6-14)22-13-15(3-5-44-22)12-20-25(35)27(37)23(28(38)26(20)36)24-29(39)31(41)34(32(42)30(24)40)45-33-18-8-16-7-17(10-18)11-19(33)9-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h14-19,21-22,33,45H,2-13H2,1H3;2*1-8H;/q3*-2;+8/b;2*10-9-;/t14?,15?,16-,17+,18-,19+,21?,22?,33-
• InChIKey: DTGBEIUVPGWUFK-HMOFBJIVSA-N

名称和登记号

名称

• 别名: Delta-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C2-Adamantane Ruthenium (II)

登记号

• PubChem SID: 160965830; 46504814
• PubChem CID: 46936446

理论计算性质

• 质子受体: 0
• 质子供体: 0
• 摩尔折射率: 265.1276 cm^3
• 极化表面积: 34.85 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

详细说明

DrugBank - DB02653

Drug information: experimental