BMS-790052 DIHYDROCHLORIDE

CAS No.
1009119-65-6
CCD No.
CCD04011089
Formula
C37 H48 N6 O6 . 2 Cl H
MolWeight
745.744

Basic Information

Product Name: BMS-790052 DIHYDROCHLORIDE
CAS: 1009119-65-6
English Synonyms: N,N'-[[1,1'-BIPHENYL]-4,4'-DIYLBIS[1H-IMIDAZOLE-5,2-DIYL-(2S)-2,1-PYRROLIDINEDIYL[(1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL]]]BISCARBAMIC ACID DIMETHYL ESTER DIHYDROCHLORIDE ; BMS 790052 (DI HCLSALT) ; BMS-790052 (DIHYDROCHLORIDE) ; BMS-790052 DIHYDROCHLORIDE ; N,N'-[[1,1'-BIPHENYL]-4,4'-DIYLBIS[1H-IMIDAZOLE-5,2-DIYL-(2S)-2,1-PYRROLIDINEDIYL[(1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL]]]BISCARBAMIC ACID DIMETHYL ESTER HYDROCHLORIDE ; BMS 790052 (DIHYDROCHLORIDE SALT) ; BMS79005 2HCL ; BMS790052 DIHCL
MDL Number.: MFCD18251440
H bond acceptor: 12
H bond donor: 3
Smile: CC(C)[C@@H](C(=O)N1CCC[C@H]1c2ccc(cc2)c3ccc(cc3)c4cnc([nH]4)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl
InChi: InChI=1S/C37H48N6O6.2ClH/c1-22(2)31(40-36(46)48-5)34(44)42-19-7-9-29(42)27-17-13-25(14-18-27)24-11-15-26(16-12-24)28-21-38-33(39-28)30-10-8-20-43(30)35(45)32(23(3)4)41-37(47)49-6;;/h11-18,21-23,29-32H,7-10,19-20H2,1-6H3,(H,38,39)(H,40,46)(H,41,47);2*1H/t29-,30-,31-,32-;;/m0../s1
InChiKey: InChIKey=WKMDQVQQARXOCM-NHOQVEDFSA-N

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