NCS
中国新化学物质查询
甲磺酸双氢麦角碱(Dihydroergotoxine mesylate)
甲磺酸二氢麦角碱
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甲磺酸双氢麦角毒碱, Decril, circanol, Sponsin, Dihydroergotoxine mesylate, Dacoren, Trigot, Inorter, Lavendustin A, cck179, Dulcion, Perenan, Epos
CAS号: 8067-24-1
IUPAC名称: N-[2-hydroxy-7-(2-methylbutan-2-yl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
分子式: C123H156N20O23S
分子量: 2314.74
InChI: InChI=1S/C33H45N5O5/c1-7-31(4,5)27-29(40)37-13-9-12-25(37)33(42)38(27)30(41)32(43-33,18(2)3)35-28(39)20-14-22-21-10-8-11-23-26(21)19(16-34-23)15-24(22)36(6)17-20/h8,10-11,16,18,20,22,24-25,27,34,42H,7,9,12-15,17H2,1-6H3,(H,35,39)
InChIKey: YLXBZBPHTNJZQE-UHFFFAOYSA-N
SMILES: CCC(C)(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
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