主记录
Cenicriviroc
- CAS
- 497223-25-3
- PubChem CID
- 5275741
- SMILES
- CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C
- 分子式
- C41H52N4O4S
- 分子量
- 696.958
- 精确分子量
- 696.3709
- 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+
- InChIKey
- PNDKCRDVVKJPKG-JJNGWGCYSA-N
- LogP
- 8.7417
- TPSA
- 85.69
名称与别名
- Cenicriviroc
- Cenicriviroc [INN]
- AC1NQNG3
- Cenicriviroc [USAN:INN]
- UNII-15C116UA4Y
- TBR 652
- orb1296069
- SCHEMBL3157740
- TAK 652
- TBR-652
- AIDS228322
- CID5275741
- 497223-25-3
- J3.033.504J
- (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
- (S)-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
- (S)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-5-yl)methylsulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide
- 8-[4-(2-Butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazole-5-yl)methyl]sulfinyl]phenyl]-1-benzoazocine-5-carboxamide
- 8-[4-(2-Butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-isobutyl-N-[4-[[(1-propyl-1H-imidazole-5-yl)methyl]sulfinyl]phenyl]-1-benzoazocine-5-carboxamide
- 8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-{4-[(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide
- CVC