Chem
J-GLOBAL ID：201507045021443442   Nikkaji number：J3.353.241E

BMS-927711

リメゲパント
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H28F2N6O3
Molecular formula furigana： C28-H28-F2-N6-O3
Molecular weight： 534.568
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
InChI key： KRNAOFGYEFKHPB-ANJVHQHFSA-N
SMILES： N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F
Systematic name  (3)：
  • 4-(2-オキソ-2,3-ジヒドロ-1H-イミダゾ[4,5-b]ピリジン-1-イル)ピペリジン-1-カルボン酸(5S)-5β-アミノ-6α-(2,3-ジフルオロフェニル)-6,7,8,9-テトラヒドロ-5H-シクロヘプタ[b]ピリジン-9β-イル
  • (5S,6S,9R)-5-アミノ-6-(2,3-ジフルオロフェニル)-5H,6H,7H,8H,9H-シクロヘプタ[b]ピリジン-9-イル 4-{2-オキソ-1H,2H,3H-イミダゾ[4,5-b]ピリジン-1-イル}ピペリジン-1-カルボキシラート
  • (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-9-yl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
Other name (4)：
  • 4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridine-1-yl)piperidine-1-carboxylic acid (5S)-5β-amino-6α-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-9β-yl ester
  • BMS-927711
  • リメゲパント
  • Rimegepant
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