催乳素
Prolactin · CAS 9002-62-4
- 中文名
- 催乳素
- 中文别名
- 暂无
- 英文名
- Prolactin
- CAS
- 9002-62-4
- CID
- 168266256
- IUPAC 名称
- [6-[2-butyl-3-[[4-[2-(5,6-dinitrooxyhexanoyloxy)ethylcarbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enyl] 5,6-dinitrooxyhexanoate;4-nitrooxybutyl 6-[2-butyl-3-[[4-[[2-(4-nitrooxybutoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;5-nitrooxyhexyl 6-[2-butyl-3-[[4-[[2-(5-nitrooxyhexoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;[4-(nitrooxymethyl)phenyl]methyl 6-[2-butyl-3-[[4-[[2-[[4-(nitrooxymethyl)phenyl]methoxy]-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate
名称与编号
- 中文名
- 催乳素
- 中文别名
- 暂无
- 英文名
- Prolactin
- CAS
- 9002-62-4
- CID
- 168266256
- IUPAC 名称
- [6-[2-butyl-3-[[4-[2-(5,6-dinitrooxyhexanoyloxy)ethylcarbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enyl] 5,6-dinitrooxyhexanoate;4-nitrooxybutyl 6-[2-butyl-3-[[4-[[2-(4-nitrooxybutoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;5-nitrooxyhexyl 6-[2-butyl-3-[[4-[[2-(5-nitrooxyhexoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;[4-(nitrooxymethyl)phenyl]methyl 6-[2-butyl-3-[[4-[[2-[[4-(nitrooxymethyl)phenyl]methoxy]-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate
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 168266256）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
- 12585-34-1Prolactin
- 9002-62-4（当前页）
分子属性
- 分子式
- C160H194N22O54S4
- 分子量
- 3417.6 g/mol
- 精确质量
- 3416.2027133 Da
- 单同位素质量
- 3415.1993584 Da
- XLogP
- 暂无
- 极性表面积
- 1130 Ų
- 氢键供体
- 4
- 氢键受体
- 62
- 可旋转键
- 114
- 重原子数
- 240
- 净电荷
- 0
- 结构复杂度
- 5660
结构标识
- InChIKey
- ZNRYUPYKSAFPRM-UHFFFAOYSA-N
- SMILES
- CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCCOC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCCOC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCCCCC(C)O[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCC(=O)OCCCCC(C)O[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCCCCO[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCC(=O)OCCCCO[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCC
- InChI
- InChI=1S/C44H45N5O12S.C40H51N7O18S.C40H53N5O12S.C36H45N5O12S/c1-2-3-4-41-45-23-39(22-38(21-36-19-20-62-30-36)40(50)17-18-42(51)58-26-32-5-9-34(10-6-32)28-60-48(54)55)47(41)25-31-13-15-37(16-14-31)44(53)46-24-43(52)59-27-33-7-11-35(12-8-33)29-61-49(56)57;1-2-3-10-37-42-24-33(23-32(22-30-17-21-66-28-30)36(48)9-6-19-60-38(49)11-4-7-34(64-46(56)57)26-62-44(52)53)43(37)25-29-13-15-31(16-14-29)40(51)41-18-20-61-39(50)12-5-8-35(65-47(58)59)27-63-45(54)55;1-4-5-12-37-41-25-35(24-34(23-32-19-22-58-28-32)36(46)17-18-38(47)54-20-8-6-10-29(2)56-44(50)51)43(37)27-31-13-15-33(16-14-31)40(49)42-26-39(48)55-21-9-7-11-30(3)57-45(52)53;1-2-3-8-33-37-23-31(22-30(21-28-15-20-54-26-28)32(42)13-14-34(43)50-16-4-6-18-52-40(46)47)39(33)25-27-9-11-29(12-10-27)36(45)38-24-35(44)51-17-5-7-19-53-41(48)49/h5-16,19-20,22-23,30H,2-4,17-18,21,24-29H2,1H3,(H,46,53);13-17,21,23-24,28,34-35H,2-12,18-20,22,25-27H2,1H3,(H,41,51);13-16,19,22,24-25,28-30H,4-12,17-18,20-21,23,26-27H2,1-3H3,(H,42,49);9-12,15,20,22-23,26H,2-8,13-14,16-19,21,24-25H2,1