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Lercanidipine hydrochloride

CAT: 0607-B3482-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B3482-100Size:100 mg
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Description
calcium channel blocker
CAS Number
132866-11-6
Product Name Alternative
3-(1-((3,3-diphenylpropyl)(methyl)amino)-2-methylpropan-2-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
Field of Research
Membrane Transporter Ion Channel Calcium Channel
Purity
0.999
Form
Light yellow solid
Solubility
≥12.23 mg/mL in DMSO; ≥9.44 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
CC(N1)=C(C(OC)=O)C(C(C(OC(C)(CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C)=O)=C1C)C4=CC(N(=O)=O)=CC=C4.Cl
Molecular Formula
C36H42ClN3O6
Molecular Weight
648.19
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Lercanidipine Hydrochloride

Lercanidipine hydrochloride is a diarylmethane.

CAS Number132866-11-6
PubChem CID157917
IUPAC Name5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Molecular FormulaC36H42ClN3O6
Molecular Weight648.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count46
Formal Charge0
Complexity1090
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
InChI
InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H
InChIKey
WMFYOYKPJLRMJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lercanidipine Hydrochloride
CAS: 132866-11-6
CID: 157917
Formula: C36H42ClN3O6
MW: 648.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass647.2762138
Monoisotopic Mass647.2762138
Topological Polar Surface Area114 Ų
Heavy Atom Count46
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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