Piribedil N-Oxide

CAT: 0024-sc-476496Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-476496Size:25 mg

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CAS Number

53954-71-5

Chemical Information

Piribedil N-Oxide

CAS Number	53954-71-5
PubChem CID	71441787
IUPAC Name	2-[4-(1,3-benzodioxol-5-ylmethyl)-4-oxidopiperazin-4-ium-1-yl]pyrimidine
Molecular Formula	C16H18N4O3
Molecular Weight	314.34
XLogP	1.2
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	397

SMILES

C1C[N+](CCN1C2=NC=CC=N2)(CC3=CC4=C(C=C3)OCO4)[O-]

InChI

InChI=1S/C16H18N4O3/c21-20(11-13-2-3-14-15(10-13)23-12-22-14)8-6-19(7-9-20)16-17-4-1-5-18-16/h1-5,10H,6-9,11-12H2

InChIKey

UOCNNJVJUXZOHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53954-71-5

CID: 71441787

Formula: C16H18N4O3

MW: 314.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.34
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	314.13789045
Monoisotopic Mass	314.13789045
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	397
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	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-474094	Piribedil
sc-476495	Piribedil-d8
sc-301552	Piribedil maleate salt
sc-215498	N, N-Dimethyldodecylamine N-oxide
sc-250526	N, N-Dimethylundecylamine N-oxide
sc-215497	N, N-Dimethyldecylamine N-oxide
sc-498800	Diltiazem N-Oxide
sc-250813	Pyridazine N-oxide
sc-473307	Trimipramine N-Oxide
sc-500623A	Clarithromycin N-Oxide