Fradafiban

CAS Registry Number®

148396-36-5
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CAS Name

Fradafiban

Molecular Formula

C20H21N3O4

Molecular Mass

367.40

Cite this Page

Fradafiban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=148396-36-5 (retrieved 2024-05-12) (CAS RN: 148396-36-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=IKZACQMAVUIGPY-HOTGVXAUSA-N

SMILES

O(C[C@@H]1C[C@@H](CC(O)=O)C(=O)N1)C2=CC=C(C=C2)C3=CC=C(C(=N)N)C=C3

Canonical SMILES

O=C(O)CC1C(=O)NC(COC=2C=CC(=CC2)C3=CC=C(C=C3)C(=N)N)C1

Other Names for this Substance

  • 3-Pyrrolidineacetic acid, 5-[[[4′-(aminoiminomethyl)[1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-, (3S,5S)-
  • 3-Pyrrolidineacetic acid, 5-[[[4′-(aminoiminomethyl)[1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-, (3S-trans)-
  • (3S,5S)-5-[[[4′-(Aminoiminomethyl)[1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid
  • Fradafiban
  • BIBU 52

Deleted or Replaced CAS Registry Numbers

158516-54-2

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