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Chemical structure of Clevidipine Butyrate

GC16128

Clevidipine Butyrate

Also known as 5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Clevidipine Butyrate is a short-acting dihydropyridine calcium channel antagonist (IC50= 7·1 nM, V(H) = -40 mV ) under development for treatment of perioperative hypertension

ChemicalCAS167221-71-8MW456.32FormulaC21H23Cl2NO6
CAS number
167221-71-8
Molecular weight
456.32
Formula
C21H23Cl2NO6
Solubility
≥ 21·4mg/mL in DMSO
InChIKey
KPBZROQVTHLCDU-UHFFFAOYSA-N
Catalogue number
GC16128
Brand
GLPBIO
Computed properties PubChem CID 153994 · XLogP 4.3 · TPSA 90.9 Ų · H-bond donors 1
XLogP
4.3
TPSA
90.9 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30

SMILES CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C

Computed descriptors from PubChem (CID 153994), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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