Name | Cenicriviroc ( TAK-652 ) |
Iupac Chemical Name | (S,E)-8-(4-(2-Butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide |
Synonyms | TAK-652; TAK652; TAK 652; TBR-652; TBR 652; TBR652; Cenicriviroc. |
Molecular Formula | C41H52N4O4S |
Molecular Weight | 696.94 |
Smile | O=C(/C1=C/C2=CC(C3=CC=C(OCCOCCCC)C=C3)=CC=C2N(CC(C)C)CCC1)NC4=CC=C([S@](CC5=CN=CN5CCC)=O)C=C4 |
InChiKey | PNDKCRDVVKJPKG-WHERJAGFSA-N |
InChi | InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1 |
CAS Number | 497223-25-3 |
Related CAS | 497223-28-6 (mesylate) 497223-25-3 ( free base ) |