Products for Research Use Only

Nexopamil racemate

CAT: 0013-GTR19205300-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205300-01Size:1 mg
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Description
Nexopamil racemate, also known as (Rac) -Nexopamil, is a 1:1 mixture of its enantiomers. This research compound exhibits potential pharmacological activity in models of asthma and gastric ulcers, making it relevant for investigations in respiratory and gastrointestinal research fields.
CAS Number
116759-35-4
Product Name Alternative
5-HT Receptor, 5-HT2 Receptor, 5HTReceptor, 5HT Receptor, (Rac) -Nexopamil, Calcium Channel, CalciumChannel, Nexopamil racemate
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.61% (May vary between batches)
Smiles
N#CC (C1=CC (OC) =C (OC) C (OC) =C1) (CCCN (C) CCCCCC) C (C) C
Molecular Formula
C24H40N2O3
Molecular Weight
404.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nexopamil racemate
CAS Number116759-35-4
PubChem CID14183297
IUPAC Name5-[hexyl(methyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Molecular FormulaC24H40N2O3
Molecular Weight404.6
XLogP4.2
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity476
SMILES
CCCCCCN(C)CCCC(C#N)(C1=CC(=C(C(=C1)OC)OC)OC)C(C)C
InChI
InChI=1S/C24H40N2O3/c1-8-9-10-11-14-26(4)15-12-13-24(18-25,19(2)3)20-16-21(27-5)23(29-7)22(17-20)28-6/h16-17,19H,8-15H2,1-7H3
InChIKey
SKDZEFVVFACNLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nexopamil racemate
CAS: 116759-35-4
CID: 14183297
Formula: C24H40N2O3
MW: 404.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass404.30389314
Monoisotopic Mass404.30389314
Topological Polar Surface Area54.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity476
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