甲磺酸双氢麦角碱

pro_cas
8067-24-1 ;17479-19-5
pro_cdbregno
CCD00175844
pro_formula
C32 H43 N5 O5 . C H4 O3 S
pro_molWeight
673.827

basic_info

Product_Name: 甲磺酸双氢麦角碱
CAS: 8067-24-1 ;17479-19-5
中文同义词: 甲磺酸双氢麦角毒碱 ; 双氢麦角汀 ; 甲磺酸双氢麦角碱
EnglishSynonyms: DIHYDROERGOTOXINE MESYLATE
pro_mdlNumber: MFCD00867218
pro_acceptors: 10
pro_donors: 3
pro_smile: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O.CS(=O)(=O)O
InChi: InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1
InChiKey: InChIKey=TZGKQIBPZOZAKF-PJLVGBPESA-N

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