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Chemical structure of Elinogrel

GC18472

Elinogrel

Also known as 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea

Elinogrel is a reversible antagonist of the platelet purinergic P2Y12 receptor (Ki = 23 nM) that inhibits platelet aggregation in a human platelet-rich plasma (hPRP) assay (IC50 = 2·81 nM)

ChemicalCAS936500-94-6MW523.9FormulaC20H15ClFN5O5S2
CAS number
936500-94-6
Molecular weight
523.9
Formula
C20H15ClFN5O5S2
Solubility
DMSO： 100 mM
InChIKey
LGSDFTPAICUONK-UHFFFAOYSA-N
Catalogue number
GC18472
Brand
GLPBIO
Computed properties PubChem CID 16066663 · XLogP 3.9 · TPSA 173 Ų · H-bond donors 4
XLogP
3.9
TPSA
173 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

SMILES CNC1=C(C=C2C(=C1)NC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)F

Computed descriptors from PubChem (CID 16066663), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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