Phenylbutazone

CAT: 1489-P3460-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-P3460-01Size:25 g

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CAS Number

50-33-9

Purity

0.98

Chemical Information

Phenylbutazone

Phenylbutazone is a member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. It has a role as a metabolite, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug and an EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor.

CAS Number	50-33-9
PubChem CID	4781
IUPAC Name	4-butyl-1,2-diphenylpyrazolidine-3,5-dione
Molecular Formula	C19H20N2O2
Molecular Weight	308.4
XLogP	3.2
Topological Polar Surface Area	40.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	389

SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

InChIKey

VYMDGNCVAMGZFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50-33-9

CID: 4781

Formula: C19H20N2O2

MW: 308.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	308.152477885
Monoisotopic Mass	308.152477885
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	389
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

Alternative Products

Catalog	Name
P4061-20	Phenylbutazone

Phenylbutazone

Chemical Information

Alternative Products

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