basic_info |
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Product_Name: | LEUROSINE SULFATE |
CAS: | 54081-68-4 |
EnglishSynonyms: | VINLEUROSINE SULFATE ; LEUROSINE SULFATE |
pro_mdlNumber: | MFCD18252519 |
pro_acceptors: | 13 |
pro_donors: | 2 |
pro_smile: | CC[C@@]12CN3CCc4c5ccccc5[nH]c4[C@](C[C@@H](C3)[C@@H]1O2)(c6cc7c(cc6OC)N([C@@H]8[C@]79CCN1[C@H]9[C@@](C=CC1)([C@H]([C@@]8(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.CC[C@@]12CN3CCc4c5ccccc5[nH]c4[C@](C[C@@H](C3)[C@@H]1O2)(c6cc7c(cc6OC)N([C@@H]8[C@]79CCN1[C@H]9[C@@](C=CC1)([C@H]([C@@]8(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.OS(=O)(=O)O |
InChi: | InChI=1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36-,37-,38+,39+,42+,43+,44+,45-,46-;/m00./s1 |
InChiKey: | InChIKey=YCWXIQRLONXJLF-IKVWRYMQSA-N |
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