Medifoxamine N-oxide

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CAS Number

108332-76-9

MDL Number

MFCD01631218

Smiles

C[N+] (C) ([O-]) CC (Oc1ccccc1) Oc2ccccc2

Chemical Information

N,N-dimethyl-2,2-diphenoxyethanamine oxide

CAS Number	108332-76-9
PubChem CID	2773883
IUPAC Name	N,N-dimethyl-2,2-diphenoxyethanamine oxide
Molecular Formula	C16H19NO3
Molecular Weight	273.33
XLogP	3.2
Topological Polar Surface Area	36.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	251

SMILES

C[N+](C)(CC(OC1=CC=CC=C1)OC2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H19NO3/c1-17(2,18)13-16(19-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3

InChIKey

CIWNRPOALOVACD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108332-76-9

CID: 2773883

Formula: C16H19NO3

MW: 273.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.33
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	273.13649347
Monoisotopic Mass	273.13649347
Topological Polar Surface Area	36.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	251
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
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Catalog	Name
HY-119468-01	Medifoxamine
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HY-119468R-01	Medifoxamine (Standard)
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AR-R11714-01	Rupatadine N-Oxide (Piperidine N-Oxide)
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