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Metamizole EP Impurity A

CAT: 1596-AR-A12692-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A12692-01Size:100 Units
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CAS Number
1672-58-8
Synonyms
N- (2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl) formamide ; 4-Formylamino Antipyrine
Molecular Formula
C12H13N3O2
Molecular Weight
231.25
API Name
Metamizole

Chemical Information

4-(Formylamino)antipyrine

4-formylaminoantipyrine is a pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a member of formamides and a pyrazolone.

CAS Number1672-58-8
PubChem CID72666
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide
Molecular FormulaC12H13N3O2
Molecular Weight231.25
XLogP0
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity359
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O
InChI
InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
InChIKey
WSJBSKRPKADYRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Formylamino)antipyrine
CAS: 1672-58-8
CID: 72666
Formula: C12H13N3O2
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass231.100776666
Monoisotopic Mass231.100776666
Topological Polar Surface Area52.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity359
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

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