主记录
Tradipitant
- CAS
- 622370-35-8
- PubChem CID
- 9916461
- SMILES
- C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
- 分子式
- C28H16ClF6N5O
- 分子量
- 587.911
- 精确分子量
- 587.0948
- InChI
- InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
- InChIKey
- CAVRKWRKTNINFF-UHFFFAOYSA-N
- LogP
- 7.3724
- TPSA
- 73.56
名称与别名
- Tradipitant
- 622370-35-8
- tradipitantum
- Nereus (TN)
- NEREUS
- NY0COC51FI
- Tradipitant [USAN]
- VLY-686
- LY686017
- UNII-NY0COC51FI
- Tradipitant [USAN:INN]
- VLY686 (Vanda)
- RefChem:933246
- Tradipitant(VLY-686)
- TRADIPITANT [INN]
- VLY686
- Tradipitant (USAN/INN)
- LY-686017
- MFCD28127604
- D0N8UY
- Tradipitant(VLY-686)?
- C28H16ClF6N5O
- LY686017 (Lilly)
- TRADIPITANT [WHO-DD]
- CAVRKWRKTNINFF-UHFFFAOYSA-N
- DTXSID801045805
- GTPL9278
- NK1R antagonist LY686017
- orb1307652
- SCHEMBL2898629