basic_info |
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Product_Name: | STERCOBILIN HYDROCHLORIDE |
CAS: | 34217-90-8 |
EnglishSynonyms: | STERCOBILIN HYDROCHLORIDE |
pro_mdlNumber: | MFCD00216795 |
pro_acceptors: | 10 |
pro_donors: | 5 |
pro_smile: | CC[C@@H]1[C@H](C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C[C@H]4[C@@H]([C@H](C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C.Cl |
InChi: | InChI=1S/C33H46N4O6.ClH/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);1H/b28-15-;/t16-,19-,20-,21-,26+,27+;/m1./s1 |
InChiKey: | InChIKey=WPZBPYPTZWWARY-JRFVQKEISA-N |
property |
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secure_info |
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