Lefradafiban
CAS Registry Number®
149503-79-7
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CAS Name
LefradafibanMolecular Formula
C23H25N3O6Molecular Mass
439.46Cite this Page
Lefradafiban. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=149503-79-7 (retrieved ) (CAS RN: 149503-79-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1
InChIKey
InChIKey=PGCFXITVMNNKON-ROUUACIJSA-N
SMILES
C(NC(OC)=O)(=N)C1=CC=C(C=C1)C2=CC=C(OC[C@@H]3C[C@@H](CC(OC)=O)C(=O)N3)C=C2
Canonical SMILES
O=C(OC)NC(=N)C1=CC=C(C=C1)C=2C=CC(OCC3NC(=O)C(CC(=O)OC)C3)=CC2
Other Names for this Substance
- 3-Pyrrolidineacetic acid, 5-[[[4′-[imino[(methoxycarbonyl)amino]methyl][1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-, methyl ester, (3S,5S)-
- 3-Pyrrolidineacetic acid, 5-[[[4′-[imino[(methoxycarbonyl)amino]methyl][1,1′-biphenyl]-4-yl]oxy]methyl]-2-oxo-, methyl ester, (3S-trans)-
- Lefradafiban
- BIBU 104XX
