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4-Methoxy PV8 (hydrochloride)

CAT: 0804-HY-W707126-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W707126-01Size:1 mg
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Description
4-Methoxy PV8 hydrochloride is a para-methoxy analog of PV8.
CAS Number
2749302-60-9
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
O=C(C(CCCCC)N1CCCC1)C2=CC=C(C=C2)OC.Cl
Molecular Formula
C18H28ClNO2
Molecular Weight
325.87
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Methoxy PV8 (hydrochloride)
CAS Number2749302-60-9
PubChem CID132989305
IUPAC Name1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one;hydrochloride
Molecular FormulaC18H28ClNO2
Molecular Weight325.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity304
SMILES
CCCCCC(C(=O)C1=CC=C(C=C1)OC)N2CCCC2.Cl
InChI
InChI=1S/C18H27NO2.ClH/c1-3-4-5-8-17(19-13-6-7-14-19)18(20)15-9-11-16(21-2)12-10-15;/h9-12,17H,3-8,13-14H2,1-2H3;1H
InChIKey
HIEYLOVQAMNISJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy PV8 (hydrochloride)
CAS: 2749302-60-9
CID: 132989305
Formula: C18H28ClNO2
MW: 325.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass325.1808568
Monoisotopic Mass325.1808568
Topological Polar Surface Area29.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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