主记录
Cenicriviroc mesylate
- CAS
- 497223-28-6
- PubChem CID
- 10147276
- 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.CS(=O)(=O)O
- 分子式
- C42H56N4O7S2
- 分子量
- 793.065
- 精确分子量
- 792.359
- InChI
- InChI=1S/C41H52N4O4S.CH4O3S/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;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;
- InChIKey
- IXPBPUPDRDCRSY-WNRKZQPVSA-N
- LogP
- 8.2457
- TPSA
- 140.06
名称与别名
- Cenicriviroc mesylate
- Cenicriviroc
- Cenicrivirocmesylate
- Cenicriviroc mesylate [USAN]
- UNII-R96TV84T21
- orb1710092
- SCHEMBL3164742
- AKOS040732782
- CID10147276
- CID 11285791
- 497223-28-6