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Norverapamil-d7

CAT: 0804-HY-135328S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135328S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Norverapamil-d7 is a deuterium labeled Norverapamil ((±) -Norverapamil) . Norverapamil, an N-demethylated metabolite of Verapamil, is a L-type calcium channel blocker and a P-glycoprotein (P-gp) function inhibitor[1][2].
CAS Number
263175-44-6
Product Name Alternative
(±) -Norverapamil-d7; D591-d7
UNSPSC
12352005
Target
Calcium Channel; Drug Metabolite; Isotope-Labeled Compounds; P-glycoprotein
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
N#CC(C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])(CCCNCCC1=CC=C(OC)C(OC)=C1)C2=CC=C(OC)C(OC)=C2
Molecular Formula
C26H29D7N2O4
Molecular Weight
447.62
References & Citations
[1]Adams KN, et al. Verapamil, and its metabolite norverapamil, inhibit macrophage-induced, bacterial efflux pump-mediated tolerance to multiple anti-tubercular drugs. J Infect Dis. 2014 Aug 1;210 (3) :456-66.|[2]Pauli-Magnus C, et al. Characterization of the major metabolites of verapamil as substrates and inhibitors of P-glycoprotein. J Pharmacol Exp Ther. 2000 May;293 (2) :376-82.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
L-type calcium channel

Chemical Information

Norverapamil-d7
CAS Number263175-44-6
PubChem CID45040133
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pentanenitrile
Molecular FormulaC26H36N2O4
Molecular Weight447.6
XLogP3.3
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity577
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3/i1D3,2D3,19D
InChIKey
UPKQNCPKPOLASS-HXAWLNHQSA-N
Chemical Structure
2D Structure
2D structure of Norverapamil-d7
CAS: 263175-44-6
CID: 45040133
Formula: C26H36N2O4
MW: 447.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass447.31144486
Monoisotopic Mass447.31144486
Topological Polar Surface Area72.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity577
Isotope Atom Count7
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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