主记录
Seltorexant
- CAS
- 1293281-49-8
- PubChem CID
- 67116280
- SMILES
- CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C
- 分子式
- C21H22FN7O
- 分子量
- 407.453
- 精确分子量
- 407.187
- InChI
- InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
- InChIKey
- SQOCEMCKYDVLMM-UHFFFAOYSA-N
- LogP
- 2.0216
- TPSA
- 80.04
名称与别名
- Seltorexant
- 1293281-49-8
- Seltorexant [USAN]
- JNJ-42847922
- RefChem:403624
- Seltorexant (USAN/INN)
- MIN-202
- C21H22FN7O
- GTPL9308
- orb1309112
- orb3033067
- SCHEMBL1671257
- CHEMBL3597971
- SCHEMBL29614942
- JNJ-922
- SQOCEMCKYDVLMM-UHFFFAOYSA-N
- BDBM118454
- DTXSID701352099
- EX-A4759
- EBC-29044
- MFCD31700700
- [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
- AKOS032954213
- SB19652
- JNJ42847922
- AC-36998
- DA-57786
- MS-26993
- HY-109012
- CS-0030510