主记录
Adagrasib
- CAS
- 2326521-71-3
- PubChem CID
- 138611145
- SMILES
- CN1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F
- 分子式
- C32H35ClFN7O2
- 分子量
- 604.13
- 精确分子量
- 603.2525
- InChI
- InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
- InChIKey
- PEMUGDMSUDYLHU-ZEQRLZLVSA-N
- LogP
- 4.733
- TPSA
- 88.83
名称与别名
- Adagrasib
- MRTX849
- 2326521-71-3
- MRTX-849
- KRAZATI
- Adagrasib [USAN]
- Krazati (TN)
- 8EOO6HQF8Y
- ADAGRASIB [INN]
- RefChem:56312
- Adagrasib (USAN/INN)
- Kras G12C inhibitor MRTX849
- Adagrasib (MRTX849)
- MRTX849(Adagrasib)?
- UNII-8EOO6HQF8Y
- ADAGRASIB [WHO-DD]
- C32H35ClFN7O2
- MFCD32263433
- DTXSID801336759
- MRTX 849
- orb1298993
- CHEMBL4594350
- SCHEMBL20974691
- SCHEMBL29349856
- SCHEMBL29423703
- SCHEMBL29979738
- GTPL10888
- CHEBI:233309
- DTXCID001767019
- GLXC-22157