2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-
2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)- · CAS 72786-10-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-
- CAS
- 72786-10-8
- CID
- 6442032
- IUPAC 名称
- methyl (E)-4-[[(4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate;hydrochloride
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-
- CAS
- 72786-10-8
- CID
- 6442032
- IUPAC 名称
- methyl (E)-4-[[(4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate;hydrochloride
分子属性
- 分子式
- C25H31ClN2O6
- 分子量
- 491 g/mol
- 精确质量
- 490.1870644 Da
- 单同位素质量
- 490.1870644 Da
- XLogP
- 暂无
- 极性表面积
- 108 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 860
结构标识
- InChIKey
- BIPHUOBUKMPSQR-ZWZZIDKESA-N
- SMILES
- COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2(C3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl
- InChI
- InChI=1S/C25H30N2O6.ClH/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14;/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29);1H/b7-6+;/t16-,18?,23+,24+,25-;/m1./s1