Ninerafaxstat trihydrochloride

CAT: 1410-M28893-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M28893-01Size:5 mg

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Description

Ninerafaxstat trihydrochloride shifts cellular metabolism to glucose oxidation from fatty acid oxidation.

CAS Number

2311824-72-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

524.87

Molecular Formula

C22H32Cl3N3O5

Notes

Research use only, not for human use.

Receptor

AMPAR|AMPA

Chemical Information

Ninerafaxstat trihydrochloride

CAS Number	2311824-72-1
PubChem CID	155801579
IUPAC Name	2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;trihydrochloride
Molecular Formula	C22H32Cl3N3O5
Molecular Weight	524.9
Topological Polar Surface Area	73.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	33
Formal Charge	0
Complexity	515

SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCOC(=O)C3=CN=CC=C3)OC)OC.Cl.Cl.Cl

InChI

InChI=1S/C22H29N3O5.3ClH/c1-27-19-7-6-18(20(28-2)21(19)29-3)16-25-11-9-24(10-12-25)13-14-30-22(26)17-5-4-8-23-15-17;;;/h4-8,15H,9-14,16H2,1-3H3;3*1H

InChIKey

XDBODYSZDLGFRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2311824-72-1

CID: 155801579

Formula: C22H32Cl3N3O5

MW: 524.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	524.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	523.140754
Monoisotopic Mass	523.140754
Topological Polar Surface Area	73.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	515
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	4
Compound Is Canonicalized	Yes

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Ninerafaxstat trihydrochloride

Chemical Information

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