Name | RNK-05047 |
Iupac Chemical Name | 4-[4-([4-[(1-[[(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl]piperidin-4-yl)methyl]piperazin-1-yl]methyl)phenyl]-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one hydrogen chloride |
Synonyms | RNK-05047 ; RNK 05047 ; RNK05047 |
Molecular Formula | C47H53ClN10O4S. HCl |
Molecular Weight | 925.98 |
Smile | O=C1NN=C(C2=CC(C(C)C)=C(O)C=C2O)N1C3=CC=C(CN4CCN(CC5CCN(C(C[C@H]6C7=NN=C(C)N7C8=C(C(C)=C(C)S8)C(C9=CC=C(Cl)C=C9)=N6)=O)CC5)CC4)C=C3.Cl |
InChiKey | BKCLODCLAKHBOU-KYYDUREMSA-N |
InChi | InChI=1S/C47H53ClN10O4S.ClH/c1-27(2)36-22-37(40(60)24-39(36)59)44-51-53-47(62)58(44)35-12-6-31(7-13-35)25-54-18-20-55(21-19-54)26-32-14-16-56(17-15-32)41(61)23-38-45-52-50-30(5)57(45)46-42(28(3)29(4)63-46)43(49-38)33-8-10-34(48)11-9-33;/h6-13,22,24,27,32,38,59-60H,14-21,23,25-26H2,1-5H3,(H,53,62);1H/t38-;/m0./s1 |
CAS Number | 2503036-46-0 |
Related CAS | 2503036-46-0 |