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M-Nisoldipine

CAT: 0804-HY-W184837-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W184837-01Size:1 mg
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Description
M-Nisoldipine (KR-1008) is a dihydropyridine calcium antagonist that can significantly increase cardiac output and heart index, significantly reduce the negative inotropic effect on the myocardium, and has a relatively high selectivity for the thoracic aorta. m-Nisoldipine can be used in the research of cardiovascular diseases[1].
CAS Number
113578-26-0
Product Name Alternative
KR-1008
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/m-nisoldipine.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C)NC(C)=C(C(OCC(C)C)=O)C1C2=CC=CC([N+]([O-])=O)=C2)OC
Molecular Formula
C20H24N2O6
Molecular Weight
388.41
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501
References & Citations
[1]Yang C, et al. Thermodynamic stability analysis of m-nisoldipine polymorphs[J]. The Journal of Chemical Thermodynamics, 2013, 58: 300-306.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

M-Nisoldipine is a dihydropyridine.

CAS Number113578-26-0
PubChem CID10091655
IUPAC Name3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC20H24N2O6
Molecular Weight388.4
XLogP3.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity704
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-7-6-8-15(9-14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
InChIKey
MRSJBSHLMOBYSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 113578-26-0
CID: 10091655
Formula: C20H24N2O6
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass388.16343649
Monoisotopic Mass388.16343649
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity704
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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