Chem
J-GLOBAL ID：200907095044151600   Nikkaji number：J1.361.854B

Fradafiban

フラダフィバン
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： C20H21N3O4
Molecular formula furigana： C20-H21-N3-O4
Molecular weight： 367.405
InChI： InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1
InChI key： IKZACQMAVUIGPY-HOTGVXAUSA-N
SMILES： NC(=N)c1ccc(cc1)c1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2)cc1
Systematic name  (3)：
  • (3S,5S)-5-[[[4′-(アミノイミノメチル)[1,1′-ビフェニル]-4-イル]オキシ]メチル]-2-オキソ-3-ピロリジン酢酸
  • 2-[(3S,5S)-5-[({4'-カルバムイミドイル-[1,1'-ビフェニル]-4-イル}オキシ)メチル]-2-オキソピロリジン-3-イル]酢酸
  • 2-[(3S,5S)-5-[({4'-carbamimidoyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-2-oxopyrrolidin-3-yl]acetic acid
Other name (3)：
  • (3S,5S)-5-[[[4′-(Aminoiminomethyl)[1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid
  • Fradafiban
  • フラダフィバン
CAS registry number： 148396-36-5
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