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M-Nisoldipine

CAT: 0931-T50077-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T50077-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113578-26-0
Target
Others, Calcium Channel
Related Pathways
Membrane transporter/Ion channel, Metabolism, Others
Purity
0.9646
Bioactivity
M-Nisoldipine (3-methyl 5- (2-methylpropyl) 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate) is a dihydropyridine calcium channel blocker, a derivative of nisoldipine, that blocks L-type calcium channels in the heart and smooth muscle cells for the treatment of hypertension and angina pectoris.
Smiles
C(OCC(C)C)(=O)C=1C(C(C(OC)=O)=C(C)NC1C)C2=CC(N(=O)=O)=CC=C2
Molecular Formula
C20H24N2O6
Molecular Weight
388.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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