分析物名称

2,2'-Bisnaltrexone Bis-N-(2-methylpropanoate)

分子式

C48 H56 N2 O10

分子量

820.966

精确质量测定

820.393

SMILES

CC(C)C(=O)Oc1c2O[C@H]3C(=O)CC[C@@]4(O)C5Cc(cc1c6cc7CC8N(CC9CC9)CC[C@@]%10%11[C@@H](Oc(c6OC(=O)C(C)C)c7%10)C(=O)CC[C@@]8%11O)c2[C@@]34CCN5CC%12CC%12

InChI

InChI=1S/C48H56N2O10/c1-23(2)43(53)59-37-29(17-27-19-33-47(55)11-9-31(51)41-45(47,35(27)39(37)57-41)13-15-49(33)21-25-5-6-25)30-18-28-20-34-48(56)12-10-32(52)42-46(48,14-16-50(34)22-26-7-8-26)36(28)40(58-42)38(30)60-44(54)24(3)4/h17-18,23-26,33-34,41-42,55-56H,5-16,19-22H2,1-4H3/t33?,34?,41-,42-,45-,46-,47+,48+/m0/s1

IUPAC

[(4aS,7aR,12bS)-10-[(4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(2-methylpropanoyloxy)-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-methylpropanoate

运输温度

Room Temperature

原产国

CANADA

产品类型

Impurity

产品形式

Neat