主记录
Bardoxolone methyl
- CAS
- 218600-53-4
- PubChem CID
- 400769
- SMILES
- C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC
- 分子式
- C32H43NO4
- 分子量
- 505.699
- 精确分子量
- 505.3192
- InChI
- InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1
- InChIKey
- WPTTVJLTNAWYAO-KPOXMGGZSA-N
- LogP
- 6.379
- TPSA
- 84.23
名称与别名
- Bardoxolone methyl
- CDDO-Me
- CDDO methyl ester
- 218600-53-4
- CDDO-Methyl ester
- bardoxolone-methyl
- Bardoxolone methyl ester
- RTA 402
- RTA402
- RTA-402
- CEG1Q6OGU1
- Bardoxolone methyl [USAN]
- NSC 713200
- NSC713200
- AC1Q6OIJ
- RefChem:560941
- UNII-CEG1Q6OGU1
- DTXSID5048764
- CDDO-Me, 2
- D03WYU
- AC1L8G9B
- Bardoxolone methyl RTA 402
- DTXCID2028690
- C32H43NO4
- cc-371
- NSC-713200
- Bardoxolone Methyl (CDDO-Me)
- TP-155
- GTPL3443
- Bardoxolone methyl (JAN/USAN)