Xaliproden hydrochloride

CAT: 0127-BUP03496-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03496-01Size:5 mg

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CAS Number

90494-79-4

Purity

=98%

Smiles

Cl.FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1

Chemical Information

Xaliproden Hydrochloride

Xaliproden hydrochloride is a member of naphthalenes.

CAS Number	90494-79-4
PubChem CID	128918
IUPAC Name	1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
Molecular Formula	C24H23ClF3N
Molecular Weight	417.9
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	540

SMILES

C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H

InChIKey

WVHBEIJGAINUBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90494-79-4

CID: 128918

Formula: C24H23ClF3N

MW: 417.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	417.1471119
Monoisotopic Mass	417.1471119
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	540
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-14604-01	Xaliproden (hydrochloride)
MBS3614547-01	Xaliproden hydrochloride
HY-14604R-01	Xaliproden (hydrochloride) (Standard)
257121-01	Xaliproden hydrochloride discontinued
MBS5784635	Xaliproden
203180	Xaliproden HCl
HY-119820	Xaliproden (free base)
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