Naloxonazine dihydrochloride
Naloxonazine dihydrochloride · CAS 880759-65-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Naloxonazine dihydrochloride
- CAS
- 880759-65-9
- CID
- 11957656
- IUPAC 名称
- (4aS,7E,7aS,12bS)-7-[(E)-[(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;dihydrochloride
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Naloxonazine dihydrochloride
- CAS
- 880759-65-9
- CID
- 11957656
- IUPAC 名称
- (4aS,7E,7aS,12bS)-7-[(E)-[(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;dihydrochloride
分子属性
- 分子式
- C38H44Cl2N4O6
- 分子量
- 723.7 g/mol
- 精确质量
- 722.2637905 Da
- 单同位素质量
- 722.2637905 Da
- XLogP
- 暂无
- 极性表面积
- 131 Ų
- 氢键供体
- 6
- 氢键受体
- 10
- 可旋转键
- 5
- 重原子数
- 50
- 净电荷
- 0
- 结构复杂度
- 1350
结构标识
- InChIKey
- VIAIHLLKDJKEKM-HOQHGZPCSA-N
- SMILES
- C=CCN1C2[C@]3([C@]4(C5=C(C2)C=CC(=C5O[C@@H]4/C(=N/N=C\6/[C@H]7OC8=C(C=CC9=C8[C@]72[C@](C(C9)N(CC2)CC=C)(CC6)O)O)/CC3)O)CC1)O.Cl.Cl
- InChI
- InChI=1S/C38H42N4O6.2ClH/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2;;/h3-8,27-28,33-34,43-46H,1-2,9-20H2;2*1H/b39-23+,40-24+;;/t27?,28?,33-,34-,35+,36+,37-,38-;;/m1../s1