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Dioxoaminopyrine

CAT: 0024-sc-497607Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-497607Size:10 mg
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CAS Number
519-65-3

Chemical Information

1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide

Dioxoaminopyrine is a monocarboxylic acid amide that is N,N-dimethyl-2-oxoacetamide substituted by a 2-acetyl-2-methyl-1-phenylhydrazinyl group at position 2. It is a metabolite of the drug aminopyrine. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a monocarboxylic acid amide and a carbohydrazide.

CAS Number519-65-3
PubChem CID68214
IUPAC Name2-(N-[acetyl(methyl)amino]anilino)-N,N-dimethyl-2-oxoacetamide
Molecular FormulaC13H17N3O3
Molecular Weight263.29
XLogP0.9
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity362
SMILES
CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C
InChI
InChI=1S/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3
InChIKey
IRTZMJWVZQYURE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide
CAS: 519-65-3
CID: 68214
Formula: C13H17N3O3
MW: 263.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.29
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass263.12699141
Monoisotopic Mass263.12699141
Topological Polar Surface Area60.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
272806-01Dioxoaminopyrine
TRC-D486347-10MGDioxoaminopyrine-d6

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