Chem
J-GLOBAL ID：200907038725549862   Nikkaji number：J2.211.430A

4-[2-[4-[(11R)-8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-yl]-1-piperidinyl]-2-oxo(2-13C)ethyl]-1-piperidine(13C,15N)carboxamide

4-[2-[4-[(11R)-8-クロロ-3,10-ジブロモ-6,11-ジヒドロ-5H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン-11-イル]-1-ピペリジニル]-2-オキソ(2-13C)エチル]-1-ピペリジン(13C,15N)カルボアミド
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： C25[13C]2H31Br2ClN3[15N]O2
Molecular formula furigana： C27-H31-BR2-CL-N4-O2
Molecular weight： 641.810
InChI： InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1/i23+1,27+1,31+1
InChI key： DHMTURDWPRKSOA-BKCOQBKVSA-N
SMILES： [15NH2][13C](=O)N1CCC(C[13C](=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Systematic name  (3)：
  • 4-[2-[4-[(11R)-8-クロロ-3,10-ジブロモ-6,11-ジヒドロ-5H-ベンゾ[5,6]シクロヘプタ[1,2-b]ピリジン-11-イル]-1-ピペリジニル]-2-オキソ(2-13C)エチル]-1-ピペリジン(13C,15N)カルボアミド
  • 4-(2-{4-[(2R)-6,15-ジブロモ-13-クロロ-4-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イル]ピペリジン-1-イル}-2-オキソ(2-13C)エチル)ピペリジン-1-(13C,15N)カルボキサミド
  • 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]piperidin-1-yl}-2-oxo(2-13C)ethyl)piperidine-1-(13C,15N)carboxamide
Other name (1)：
  • 4-[2-[4-[(11R)-8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-yl]-1-piperidinyl]-2-oxo(2-13C)ethyl]-1-piperidine(13C,15N)carboxamide
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