主记录
Tafenoquine
- CAS
- 106635-80-7
- PubChem CID
- 76969188
- SMILES
- CC1=CC(=NC2=C1C(=C(C=C2N[C@@H](C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC
- 分子式
- C24H28F3N3O3
- 分子量
- 463.5
- 精确分子量
- 463.2083
- InChI
- InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1
- InChIKey
- LBHLFPGPEGDCJG-HNNXBMFYSA-N
- LogP
- 5.9108
- TPSA
- 78.63
名称与别名
- Tafenoquine
- CHEBI:141489
- ZINC9294040
- PD132236
- A12873
- (4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
- 106635-80-7
- h3F