OPB

4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE

Created:	2003-08-19
Last modified:	2021-03-01

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3 entries where OPB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE
Synonyms	OXYPHENBUTAZONE
Systematic Name (OpenEye OEToolkits)	(4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione
Formula	C₁₉ H₂₀ N₂ O₃
Molecular Weight	324.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3
SMILES	CACTVS	3.341	CCCC[CH]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
Canonical SMILES	CACTVS	3.341	CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
InChI	InChI	1.03	InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1
InChIKey	InChI	1.03	HFHZKZSRXITVMK-KRWDZBQOSA-N

Drug Info: DrugBank

DrugBank ID	DB03585
Name	Oxyphenbutazone
Groups	approved withdrawn
Description	Oxyphenbutazone was withdrawn from the Canadian market in March 1985 due to concerns regarding bone marrow suppression.
Synonyms	Oxyphenbutazonum Oxiphenbutazone Oxyphenbutazone Oxifenbutazona Oxyphenbutazone monohydrate
Brand Names	Oxyphenbutazone 100mg Tablets Oxybutazone Tab 100mg
Categories	Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiinflammatory Preparations, Non-Steroids for Topical Use Antirheumatic Agents Butylpyrazolidines Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors Ophthalmologicals Other Nonsteroidal Anti-inflammatory Agents Peripheral Nervous System Agents Pyrazoles Pyrazolones Sensory Organs Sensory System Agents Topical Products for Joint and Muscular Pain
ATC-Code	M01AA03 M02AA04 S01BC02
CAS number	129-20-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Group IIE secretory phospholipase A2	MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...	unknown
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682