AG003DET

57-96-5 | 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

AG003DET

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CAS Number	57-96-5
Catalog Number	AG003DET(AGN-PC-0511MD)
Chemical Name	4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
EC Number	200-357-4
IUPAC Name	4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione
InChI	InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChI Key	MBGGBVCUIVRRBF-UHFFFAOYSA-N
MDL Number	MFCD00057279
Molecular Formula	C23H20N2O3S
Molecular Weight	404.4815
SMILES	O=C(C1CCS(C2=CC=CC=C2)=O)N(C3=CC=CC=C3)N(C4=CC=CC=C4)C1=O
Synonyms	Anturan, Anturane, Apo Sulfinpyrazone, Apo-Sulfinpyrazone, Nu Sulfinpyrazone, Nu-Sulfinpyrazone, Sulfinpyrazone, Sulfoxyphenylpyrazolidin, Sulphinpyrazone, sulfinpyrazone, 57-96-5, Sulphinpyrazone, (+/-)-SULFINPYRAZONE, Sulfinpyrazon, Anturane, Diphenylpyrazone, Sulfoxyphenylpyrazolidine, Anturan, Anturanil, Anturidin, Enturen, Anturano, Sulfinpyrazine, USAF GE-13, 1,2-Diphenyl-4-(2-(phenylsulfinyl)ethyl)pyrazolidine-3,5-dione, Sulfinpyrazonum, Anturen, Enturan, NSC 75925, Apo-Sulfinpyrazone, Anturane (TN), G 28315, Sulfinpyrazonum [INN-Latin], Sulfinpirazona [INN-Spanish], 4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione, 1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione, 1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)pyrazolidine, 4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione, 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione, C23H20N2O3S, HSDB 3396, EINECS 200-357-4, G-28315, 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-, BRN 0713597, G 28,315, CHEBI:9342, ( inverted exclamation markA)-Sulfinpyrazone, 1,2-Diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione, 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione, MBGGBVCUIVRRBF-UHFFFAOYSA-N, 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin, 3,5-Pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-, NSC75925, 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin [German], CAS-57-96-5, NCGC00016255-01, Sulfinpirazona, AK122319, 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl-3,5-pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione, Sulfoxyphenylpyrazolidin, DSSTox_CID_3618, DSSTox_RID_77113, DSSTox_GSID_23618, W-105427, Novopyrazone, 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione, SMR000058991, sulfinpyrazone (SPZ), Sulfinpyrazone [USAN:INN:JAN], SR-01000003152, sufinpyrazone, suphinpyrazone, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-1,2-diazolidine-3,5-dione, Sulphinepyrazolone, Prestwick_455, Sulfinpyrazone [USP:INN:BAN:JAN], (-+)-sulfinpyrazone, Spectrum_001022, Prestwick0_000290, Prestwick1_000290, Prestwick2_000290, Prestwick3_000290, Spectrum2_001324, Spectrum3_000590, Spectrum4_000845, Spectrum5_000984, AC1L1K4Z, BIDD:PXR0096, SCHEMBL34421, BSPBio_000200, BSPBio_002040, KBioGR_001449, KBioSS_001502, MLS000028565, MLS001074941, DivK1c_000090, SPECTRUM1500554, SPBio_001447, SPBio_002419, BPBio1_000220, GTPL5826, Sulfinpyrazone (JAN/USP/INN), DTXSID0023618, CTK8F1547, HMS500E12, KBio1_000090, KBio2_001502, KBio2_004070, KBio2_006638, KBio3_001540, NINDS_000090, HMS1568J22, HMS1921C09, HMS2092K11, HMS2095J22, HMS2233H11, HMS3259I06, HMS3371B22, HMS3712J22, Pharmakon1600-01500554, 1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl) pyrazolidine, BCP05344, KS-00000L9C, Tox21_110331, 8566AB, CCG-39262, MFCD00057279, NSC-75925, NSC757332, s4628, SBB058184, AKOS015913283, Tox21_110331_1, DB01138, DS-6609, MCULE-8521771467, NC00539, NSC-757332, TRA0061733, IDI1_000090, NCGC00016255-02, NCGC00016255-03, NCGC00016255-04, NCGC00016255-05, NCGC00016255-06, NCGC00016255-07, NCGC00016255-10, NCGC00018267-01, NCGC00023932-03, NCGC00023932-04, AC-13602, AN-23594, BC206492, CC-00167, CPD000058991, SAM002554932, (+/-)-Sulfinpyrazone, analytical standard, SBI-0051528.P003, WLN: T5VNNV EHJ BR& CR& E2SO&R, AX8043323, LS-128688, AB00052103, FT-0603240, ST51015125, 4-(Phenylsulfoxyethyl)-1,5-pyrazolidinedione, C07317, D00449, 3, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-, 32301-EP2281815A1, 32301-EP2301933A1, 32301-EP2305640A2, 32301-EP2311827A1, AB00052103_13, C-21796, SR-01000003152-2, SR-01000003152-4, BRD-A36217750-001-05-6, BRD-A36217750-001-09-8, I14-45370, Z1565440323, Sulfinpyrazone, European Pharmacopoeia (EP) Reference Standard, 1,2-di(phenyl)-4-(2-phenylsulfinylethyl)pyrazolidine-3,5-dione, 1,2-Diphenyl-3,5-dioxo- 4- (2-phenylsulfinylethyl) pyrazolidine, 1,2-diphenyl-4-[2-(phenylsulfinyl)-ethyl]-pyrazolidine-3,5-dione, Sulfinpyrazone, United States Pharmacopeia (USP) Reference Standard, Sulfinpyrazone for system suitability, European Pharmacopoeia (EP) Reference Standard, Nu Sulfinpyrazone, Nu-Sulfinpyrazone, sulfinpyrazon-, Apo Sulfinpyrazone, 1,5-pyrazolidinedione, UNII-V6OFU47K3W, CHEMBL832, D03DEI, V6OFU47K3W, Apotex Brand of Sulfinpyrazone, Novartis Brand of Sulfinpyrazone, Nu Pharm Brand of Sulfinpyrazone, Nu-Pharm Brand of Sulfinpyrazone, CID5342, Sulfinpyrazone (JP15/USP/INN), ACN-S002471, C23-H20-N2-O3-S, 5-25-02-00397 (Beilstein Handbook Reference), D013442, 1,2-Diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione,

Complexity	571
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	404.119g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	404.484g/mol
Monoisotopic Mass	404.119g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number