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Chemical structure of Sibrafiban

GC64571

Sibrafiban

Also known as ethyl 2-[1-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate

Sibrafiban (RO 48-3657) is the orally active, nonpeptide, double-prodrug of Ro 44-3888 and a selective glycoprotein IIb/IIIa receptor antagonist

ChemicalCAS172927-65-0MW420.46FormulaC20H28N4O6
CAS number
172927-65-0
Molecular weight
420.46
Formula
C20H28N4O6
Solubility
DMSO ： 33·33 mg/mL (79·27 mM; Need ultrasonic)
InChIKey
WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
Catalogue number
GC64571
Brand
GLPBIO
Computed properties PubChem CID 9577986 · XLogP 1 · TPSA 144 Ų · H-bond donors 3
XLogP
1
TPSA
144 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)/C(=N/O)/N

Computed descriptors from PubChem (CID 9577986), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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