L(-)-ERGOTAMINE-L(+)-TARTRATE

CAS号
CCD编号
CCD00117733
分子式
C33 H35 N5 O5 . C4 H6 O6
分子量
731.755

基本信息

产品名称: L(-)-ERGOTAMINE-L(+)-TARTRATE
英文同义词: L(-)-ERGOTAMINE-L(+)-TARTRATE
MDL号: MFCD00272901
氢键受体数量: 10
氢键供体数量: 3
Smile: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC[C@@H]5C=C6c7cccc8c7c(c[nH]8)C[C@H]6N(C5=O)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChi: InChI=1S/C33H35N5O5.C4H6O6/c1-32(35-18-21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)29(21)39)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34-35,42H,7,12-14,16,18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t21-,25+,26-,27-,32+,33-;1-,2-/m01/s1
InChiKey: InChIKey=GMKDNSBNZIJYPT-PBCOUQQWSA-N

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