Chem
J-GLOBAL ID：200907001359989306   Nikkaji number：J835.875C

SB-214857

SB-214857
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： C23H32N4O4
Molecular formula furigana： C23-H32-N4-O4
Molecular weight： 428.533
InChI： InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1
InChI key： PYZOVVQJTLOHDG-FQEVSTJZSA-N
SMILES： CN1Cc2cc(ccc2N[C@@H](CC(=O)O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1
Systematic name  (4)：
  • (2S)-3-オキソ-4-メチル-7-[4-(4-ピペリジニル)ピペリジノカルボニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-2β-酢酸
  • (2S)-2,3,4,5-テトラヒドロ-3-オキソ-4-メチル-7-(4,4′-ビピペリジン-1-イルカルボニル)-1H-1,4-ベンゾジアゼピン-2-酢酸
  • 2-[(2S)-7-{[4,4'-ビピペリジン]-1-カルボニル}-4-メチル-3-オキソ-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-2-イル]酢酸
  • 2-[(2S)-7-{[4,4'-bipiperidine]-1-carbonyl}-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Other name (5)：
  • SB-214857
  • (2S)-3-Oxo-4-methyl-7-[4-(4-piperidinyl)piperidinocarbonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2β-acetic acid
  • (2S)-2,3,4,5-Tetrahydro-3-oxo-4-methyl-7-(4,4′-bipiperidine-1-ylcarbonyl)-1H-1,4-benzodiazepine-2-acetic acid
  • ロトラフィバン
  • Lotrafiban
CAS registry number： 171049-14-2
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