IRCODIN

CAS No.
65651-05-0
CCD No.
CCD00245086
Formula
C19 H20 N2 O2 . C18 H21 N O3 . C13 H18 N2 O3 . C13 H17 N3 O
MolWeight
1089.34

Basic Information

Product Name: IRCODIN
CAS: 65651-05-0
English Synonyms: IRCODIN
MDL Number.: MFCD01714473
H bond acceptor: 4
H bond donor: 0
Smile: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2.Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C.CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC
InChi: InChI=1S/C19H20N2O2.C18H21NO3.C13H17N3O.C13H18N2O3/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h4-13,17H,2-3,14H2,1H3;3-6,11-13,17,20H,7-9H2,1-2H3;5-9H,1-4H3;7H,2-6,8H2,1H3,(H2,14,15,16,17,18)/t;11-,12+,13-,17-,18-;;/m.0../s1
InChiKey: InChIKey=LVMLIZTWIPEUHG-SDLHAOEGSA-N

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