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Chemical structure of Fradafiban

GC32562

Fradafiban

Also listed as Fradafiban (BIBU-52)

Fradafiban (BIBU-52) is a nonpeptide platelet glycoprotein IIb/IIIa antagonist, which binds to the human platelet GP IIb/IIIa complex with a Kd value of 148 nM

ChemicalCAS148396-36-5MW367.4FormulaC20H21N3O4
CAS number
148396-36-5
Molecular weight
367.4
Formula
C20H21N3O4
Solubility
DMSO : 180 mg/mL (489·93 mM; Need ultrasonic)
InChIKey
IKZACQMAVUIGPY-HOTGVXAUSA-N
Catalogue number
GC32562
Brand
GLPBIO
Computed properties PubChem CID 66000 · XLogP 1.5 · TPSA 126 Ų · H-bond donors 4
XLogP
1.5
TPSA
126 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

SMILES C1[C@H](C(=O)N[C@@H]1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Computed descriptors from PubChem (CID 66000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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