主记录
Rimegepant
- CAS
- 1289023-67-1
- PubChem CID
- 51049968
- SMILES
- C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6
- 分子式
- C28H28F2N6O3
- 分子量
- 534.567
- 精确分子量
- 534.2191
- InChI
- InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1
- InChIKey
- KRNAOFGYEFKHPB-ANJVHQHFSA-N
- LogP
- 4.49
- TPSA
- 119.13
名称与别名
- Rimegepant
- BMS-927711
- rimegepantum
- 1289023-67-1
- Vydura
- Rimegepant sulfate
- Nurtec ODT
- Rimegepant [USAN:INN]
- RefChem:57235
- RIMEGEPANT [MI]
- BMS 927711
- BHV-3000
- RIMEGEPANT [INN]
- Rimegepant (USAN/INN)
- RIMEGEPANT [USAN]
- D0V9VG
- UNII-997WVV895X
- C28H28F2N6O3
- 997WVV895X
- RIMEGEPANT [WHO-DD]
- CHEMBL2178422
- BMS-927711(Rimegepant)
- DTXSID70156003
- orb1302712
- SCHEMBL1670580
- BMS-927711(Rimegepant)?
- Rimegepant (BMS-927711)
- DTXCID1078494
- SCHEMBL29374210
- SCHEMBL29592766