Phenylbutazone EP Impurity B

CAT: 1299-RM-P050202-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P050202-01Size:10 mg

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CAS Number

16860-43-8

Synonyms

4-butyl-4-hydroxy-1,2-diphenylpyrazolidine-3,5-dione

Molecular Formula

C19H20N2O3

Molecular Weight

324.37

Target Alternative Name

Phenylbutazone

Product Name Synonym

4-butyl-4-hydroxy-1,2-diphenylpyrazolidine-3,5-dione

Chemical Information

4-Butyl-4-hydroxy-1,2-diphenyl-3,5-pyrazolidinedione

CAS Number	16860-43-8
PubChem CID	101102
IUPAC Name	4-butyl-4-hydroxy-1,2-diphenylpyrazolidine-3,5-dione
Molecular Formula	C19H20N2O3
Molecular Weight	324.4
XLogP	3.5
Topological Polar Surface Area	60.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	431

SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C19H20N2O3/c1-2-3-14-19(24)17(22)20(15-10-6-4-7-11-15)21(18(19)23)16-12-8-5-9-13-16/h4-13,24H,2-3,14H2,1H3

InChIKey

VTEBWXHYBNAYKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16860-43-8

CID: 101102

Formula: C19H20N2O3

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	324.14739250
Monoisotopic Mass	324.14739250
Topological Polar Surface Area	60.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	431
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
RM-P050210-01	Phenylbutazone EP Impurity A
RM-P050204-01	Phenylbutazone EP Impurity D
RM-P050200-01	Phenylbutazone; Suxibuzone EP Impurity A
RM-P050203-01	Phenylbutazone EP Impurity C
RM-P050205-01	Phenylbutazone EP Impurity E
RM-P050201-01	Phenylbutazone Impurity A
RM-P050217-01	Phenylbutazone Impurity 14
RM-P050215-01	Phenylbutazone Impurity 12
RM-P050219-01	Phenylbutazone Impurity 16
RM-P050218-01	Phenylbutazone Impurity 15

Catalog	Name
AR-P01706-01	Phenylbutazone Impurity B
AR-P01704-01	Phenylbutazone EP Impurity A
AR-P01708-01	Phenylbutazone Impurity D
AR-P01709-01	Phenylbutazone Impurity E
AR-P01707-01	Phenylbutazone EP Impurity C
P4061-20	Phenylbutazone