灰菝楔提取物
Percoll · CAS 97404-52-9
- 中文名
- 灰菝楔提取物
- 中文别名
- 暂无
- 英文名
- Percoll
- CAS
- 97404-52-9
- CID
- 168009829
- IUPAC 名称
- 1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(3-hydroxy-2-methylpropyl)ethenesulfonamide;2-cyano-3-[4-(diethylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;2-cyano-3-[4-(dimethylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(3-hydroxy-2-methylpropyl)ethenesulfonamide;2-cyano-3-[4-(dipropylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
名称与编号
- 中文名
- 灰菝楔提取物
- 中文别名
- 暂无
- 英文名
- Percoll
- CAS
- 97404-52-9
- CID
- 168009829
- IUPAC 名称
- 1-cyano-2-[6-(diethylamino)naphthalen-2-yl]-N-(3-hydroxy-2-methylpropyl)ethenesulfonamide;2-cyano-3-[4-(diethylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;2-cyano-3-[4-(dimethylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;1-cyano-2-[6-(dipropylamino)naphthalen-2-yl]-N-(3-hydroxy-2-methylpropyl)ethenesulfonamide;2-cyano-3-[4-(dipropylamino)phenyl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-(6-morpholin-4-ylnaphthalen-2-yl)ethenesulfonamide;1-cyano-N-(3-hydroxy-2-methylpropyl)-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 2 个编号（PubChem CID 168009829）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
- 65455-52-9Percoll
- 97404-52-9（当前页）
分子属性
- 分子式
- C186H243N29O26S6
- 分子量
- 3493 g/mol
- 精确质量
- 3491.6941909 Da
- 单同位素质量
- 3490.690836 Da
- XLogP
- 暂无
- 极性表面积
- 874 Ų
- 氢键供体
- 19
- 氢键受体
- 52
- 可旋转键
- 75
- 重原子数
- 247
- 净电荷
- 0
- 结构复杂度
- 5640
结构标识
- InChIKey
- RZPNYVYWMSGMNL-UHFFFAOYSA-N
- SMILES
- CCCN(CCC)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC(C)CO.CCCN(CCC)C1=CC2=C(C=C1)C=C(C=C2)C=C(C#N)S(=O)(=O)NCC(C)CO.CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC(C)CO.CCN(CC)C1=CC2=C(C=C1)C=C(C=C2)C=C(C#N)S(=O)(=O)NCC(C)CO.CC(CNC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N)CO.CC(CNS(=O)(=O)C(=CC1=CC2=C(C=C1)C=C(C=C2)NCCN3CCOCC3)C#N)CO.CC(CNS(=O)(=O)C(=CC1=CC2=C(C=C1)C=C(C=C2)N3CCCCC3)C#N)CO.CC(CNS(=O)(=O)C(=CC1=CC2=C(C=C1)C=C(C=C2)N3
- InChI
- InChI=1S/C23H30N4O4S.C23H31N3O3S.C22H28N4O3S.C22H27N3O3S.C21H25N3O4S.C21H27N3O3S.C20H29N3O2.C18H25N3O2.C16H21N3O2/c1-18(17-28)16-26-32(29,30)23(15-24)13-19-2-3-21-14-22(5-4-20(21)12-19)25-6-7-27-8-10-31-11-9-27;1-4-10-26(11-5-2)22-9-8-20-12-19(6-7-21(20)14-22)13-23(15-24)30(28,29)25-16-18(3)17-27;1-17(16-27)15-24-30(28,29)22(14-23)12-18-3-4-20-13-21(6-5-19(20)11-18)26-9-7-25(2)8-10-26;1-17(16-26)15-24-29(27,28)22(14-23)12-18-5-6-20-13-21(8-7-19(20)11-18)25-9-3-2-4-10-25;1-16(15-25)14-23-29(26,27)21(13-22)11-17-2-3-19-12-20(5-4-18(19)10-17)24-6-8-28-9-7-24;1-4-24(5-2)20-9-8-18-10-17(6-7-19(18)12-20)11-21(13-22)28(26,27)23-14-16(3)15-25;1-4-10-23(11-5-2)19-8-6-17(7-9-19)12-18(13-21)20(25)22-14-16(3)15-24;1-4-21(5-2)17-8-6-15(7-9-17)10-16(11-19)18(23)20-12-14(3)13-22;1-12(11-20)10-18-16(21)14(9-17)8-13-4-6-15(7-5-13)19(2)3/h2-5,12-14,18,25-26,28H,6-11,16-17H2,1H3;6-9,12-14,18,25,27H,4-5,10-11,16-17H2,1-3H3;3-6,11-13,17,24,27H,7-10,15-16H2,1-2H3;5-8,11-13,17,24,26H,2-4,9-10,15-16H2,1H3;2-5,10-12,16,23,25H,6-9,14-