罗库溴胺杂质18(1190105-65-7)名称与标识符
名称
中文别名:
奥洛他定N氧化物;罗库溴铵杂质18;罗库溴铵杂质18(EP杂质E);罗库溴胺杂质18;罗库溴铵EP杂质E;罗库溴铵单杂E;
英文别名:
2-Pyrrolidinyl Desmorpholinylrocuronium Bromide;α-(2-Oxopyrrolidino)valerophenone-d6 (major);2-Pyrrolidinyl Desmo;Rocuronium bromide intermediate E;[(2S,3S,5R,8R,9R,10S,13S,14R,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;bromide;1190105-65-7;Rocuronium Bromide Impurity 18 (EP impurity E);
标识符
InChIKey:
WXZVCMSZGNGDKJ-GYFLCYNPSA-M
Inchi:
1S/C32H53N2O3.BrH/c1-5-16-34(17-8-9-18-34)28-20-26-24-11-10-23-19-29(36)27(33-14-6-7-15-33)21-32(23,4)25(24)12-13-31(26,3)30(28)37-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+;/m1./s1
SMILES:
[Br-].O(C(C)=O)[C@H]1[C@H](C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H]([C@H](C[C@]4(C)[C@@H]3CC[C@@]21C)N1CCCC1)O)[N+]1(CC=C)CCCC1