Basic Information |
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Product Name: | 1R,1'R-ATRACURIUMBESYLATE |
English Synonyms: | 1R,1'R-ATRACURIUMBESYLATE |
MDL Number.: | MFCD18252894 |
H bond acceptor: | 14 |
H bond donor: | 0 |
Smile: | C[N+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5[C@@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(O)[O-].c1ccc(cc1)S(=O)(=O)[O-] |
InChi: | InChI=1S/C53H72N2O12.C6H8O3S.C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;1-5,10H,(H2,7,8,9);1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43+,54?,55?;; |
InChiKey: | InChIKey=VZVFBIZALUCYKS-FQXGZAOGSA-L |
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