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Azapropazone

CAT: 0926-NAA53959-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NAA53959-02Size:5 mg
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CAS Number
13539-59-8
Smiles
CCCC1C (=O) N2C3=C (C=CC (=C3) C) N=C (N2C1=O) N (C) C
Molecular Formula
C16H20N4O2
Molecular Weight
300.36 g/mol
Controlled
No

Chemical Information

Azapropazone

Apazone is a member of the class of benzotriazines that is 1,2-dihydro-1,2,4-benzotriazine bearing a dimethylamino substitutent at position 3 and a methyl substituent at position 7 and in which the nitrogens at positions 1 and 2 are both acylated by a carboxy group of propylmalonic acid. It has a role as a non-steroidal anti-inflammatory drug and a uricosuric drug. It derives from a hydride of a 1,2,4-benzotriazine.

CAS Number13539-59-8
PubChem CID26098
IUPAC Name5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
Molecular FormulaC16H20N4O2
Molecular Weight300.36
XLogP4
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity516
SMILES
CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C
InChI
InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3
InChIKey
MPHPHYZQRGLTBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azapropazone
CAS: 13539-59-8
CID: 26098
Formula: C16H20N4O2
MW: 300.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.36
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass300.15862589
Monoisotopic Mass300.15862589
Topological Polar Surface Area56.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116442-01Azapropazone
HY-116442RAzapropazone (Standard)
TRC-A802402-100MGAzapropazone-d7 Dihydrate

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