Molecular Structure:
CAS No.:
126202-89-9
;126602-89-9
Product Name.:
CCD No.:CCD00578788
Formula:C53 H67 N9 O10 S . C34 H50 N4 O9 S
MolWeight:1713.09
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| Product Name： | QUINUPRISTIN-DALFOPRISTIN |
| CAS： | 126202-89-9 ;126602-89-9 |
| English Synonyms： | QUINUPRISTIN-DALFOPRISTIN ; DALFOPRISTIN AND QUINUPRISTIN |
| MDL Number.： | MFCD07364059 |
| H bond acceptor： | 19 |
| H bond donor： | 4 |
| Smile： | CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CC[C@H]6CC7)Cc8ccc(cc8)N(C)C)C.CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C |
| InChi： | InChI=1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35+,37-,38+,39+,40+,43-,44+,45+;24-,25-,28-,31-,32-/m11/s1 |
| InChiKey： | InChIKey=PPKJUHVNTMYXOD-PZGPJMECSA-N |
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