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OPB

Summary
Name:4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE
Synonyms:OXYPHENBUTAZONE
Formula:C19 H20 N2 O3
Formal charge:0
Formula weight:324.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
OpenEye OEToolkits1.5.0(4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3
SMILES_CANONICALCACTVS3.341CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
SMILESCACTVS3.341CCCC[CH]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
InChIInChI1.03InChI=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
InChIKeyInChI1.03HFHZKZSRXITVMK-KRWDZBQOSA-N

223790

PDB entries from 2024-08-14

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