Nexopamil (racemate)

CAT: 0804-HY-101727-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-101727-01Size:1 mg

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Description

Nexopamil racemate is the racemate of Nexopamil. Nexopamil is a combined Ca2+/5-HT2 antagonist on thrombus formation in vivo and on platelet aggregation in vitro.

CAS Number

116759-35-4

UNSPSC

12352005

Target

5-HT Receptor; Calcium Channel

Type

Reference compound

Related Pathways

GPCR/G Protein; Membrane Transporter/Ion Channel; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/Nexopamil_(racemate).html

Solubility

10 mM in DMSO

Smiles

N#CC(C(C)C)(CCCN(CCCCCC)C)C1=CC(OC)=C(OC)C(OC)=C1

Molecular Formula

C24H40N2O3

Molecular Weight

404.59

References & Citations

[1]Kirchengast M, et al. Inhibition by the combined Ca2+ and 5-HT2 receptor antagonist nexopamil (LU 49938) of intracoronary thrombus formation in a canine model of arterial stenosis and intimal damage. J Cardiovasc Pharmacol. 1993 Nov;22 (5) :687-94.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Calcium Channel; α-1 microglobulin

Chemical Information

Nexopamil racemate

CAS Number	116759-35-4
PubChem CID	14183297
IUPAC Name	5-[hexyl(methyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Molecular Formula	C24H40N2O3
Molecular Weight	404.6
XLogP	4.2
Topological Polar Surface Area	54.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Heavy Atom Count	29
Formal Charge	0
Complexity	476

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

CAS: 116759-35-4

CID: 14183297

Formula: C24H40N2O3

MW: 404.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	404.6
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	404.30389314
Monoisotopic Mass	404.30389314
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	476
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Nexopamil (racemate)

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