basic_info |
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| Product_Name: | 3-(AMINOCARBONYL)-O4-DEACETYL-3-DE(METHOXYCARBONYL)VINCALEUKOBLASTINE SULFATE SALT HYDRATE |
| CAS: | 59917-39-4 |
| EnglishSynonyms: | 3-(AMINOCARBONYL)-O4-DEACETYL-3-DE(METHOXYCARBONYL)VINCALEUKOBLASTINE SULFATE SALT HYDRATE ; VINDESINE SULFATE HYDRATE ; VINDESINE SULFATE SALT,WHITE SOLID ; VINDESINE SULFATE SALT HYDRATE ; DESACETYLVINBLASTINE AMIDE SULFATE SALT HYDRATE |
| pro_mdlNumber: | MFCD21365110 |
| pro_acceptors: | 12 |
| pro_donors: | 5 |
| pro_smile: | CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)N)O)O)CC)C)C(=O)OC)O.O.OS(=O)(=O)O |
| InChi: | InChI=1S/C43H55N5O7.H2O4S.H2O/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4;/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4);1H2/t25-,34+,35-,36-,39+,40-,41-,42+,43+;;/m1../s1 |
| InChiKey: | InChIKey=TUDLKTILIBRXNU-RIHOAIHNSA-N |
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