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KR30031

CAT: 0013-GTR19210048-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210048-01Size:25 mg
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Description
KR30031 is a verapamil-derived P-glycoprotein inhibitor with comparable efficacy to verapamil but reduced cardiovascular effects. It enhances the bioavailability of co-administered drugs like paclitaxel in anticancer research and is utilized in both in vitro and in vivo studies of multidrug resistance.
CAS Number
205535-74-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCN (CCC1=CC (OC) =C (OC) C=C1) C) C2 (C#N) C=3C (CC2) =C (OC) C (OC) =CC3
Molecular Formula
C26H34N2O4
Molecular Weight
438.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-((3,4-dimethoxyphenethyl)(methyl)amino)propyl)-4,5-dimethoxy-2,3-dihydro-1H-indene-1-carbonitrile
CAS Number205535-74-6
PubChem CID9833643
IUPAC Name1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4,5-dimethoxy-2,3-dihydroindene-1-carbonitrile
Molecular FormulaC26H34N2O4
Molecular Weight438.6
XLogP4.4
Topological Polar Surface Area64
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity622
SMILES
CN(CCCC1(CCC2=C1C=CC(=C2OC)OC)C#N)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3
InChIKey
VLSLFQMGJUJBQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-((3,4-dimethoxyphenethyl)(methyl)amino)propyl)-4,5-dimethoxy-2,3-dihydro-1H-indene-1-carbonitrile
CAS: 205535-74-6
CID: 9833643
Formula: C26H34N2O4
MW: 438.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass438.25185757
Monoisotopic Mass438.25185757
Topological Polar Surface Area64 Ų
Heavy Atom Count32
Formal Charge0
Complexity622
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

Alternative Products

CatalogName
MBS5812499KR30031

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