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Clevidipine Butyrate

CAT: 0607-B1415-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B1415-5.1Size:10 mM (in 1mL DMSO)
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Description
Dihydropyridine calcium channel blocker
CAS Number
167221-71-8
Product Name Alternative
5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Field of Research
Membrane Transporter Ion Channel Calcium Channel
Purity
0.9955
Form
A solid
Solubility
≥21.4 mg/mL in DMSO; insoluble in H2O; ≥7.45 mg/mL in EtOH with ultrasonic
Smiles
CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
Molecular Formula
C21H23Cl2NO6
Molecular Weight
456.32
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester

Clevidipine is a dihydropyridine.

CAS Number167221-71-8
PubChem CID153994
IUPAC Name5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC21H23Cl2NO6
Molecular Weight456.3
XLogP4.3
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity748
SMILES
CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
InChI
InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3
InChIKey
KPBZROQVTHLCDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester
CAS: 167221-71-8
CID: 153994
Formula: C21H23Cl2NO6
MW: 456.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass455.0902428
Monoisotopic Mass455.0902428
Topological Polar Surface Area90.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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