AG00BF6I

27470-51-5 | 4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]

AG00BF6I

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CAS Number	27470-51-5
Catalog Number	AG00BF6I(AGN-PC-0R3AGZ)
Chemical Name	4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]
EC Number	248-477-6
IUPAC Name	4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
InChI	InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
InChI Key	ONWXNHPOAGOMTG-UHFFFAOYSA-N
MDL Number	MFCD00079562
Molecular Formula	C24H26N2O6
Molecular Weight	438.4730
NSC Number	757866
SMILES	C(OCC1(CCCC)C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O)(=O)CCC(O)=O
UNII	86TDZ5WP2B
Synonyms	1,2-diphenyl-4-n-butyl-4-hydroxymethyl-3,5-dioxopyrazolidine hemisuccinate, 4-butyl-4-(beta-carboxypropionyloxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, suxibuzone, suxibuzone, 27470-51-5, Calibene, Suxibuzona, Suxibuzonum, Solurol, Flogos, 4-Hydroxymethylbutazolidine hemisuccinate, Aflogan, Flamilon, Alfide, Suxibuzonum [INN-Latin], AE-17, Suxibuzona [INN-Spanish], UNII-86TDZ5WP2B, 4-Butyl-4-hydroxymethyl-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate, CHEBI:32173, AE 17, C24H26N2O6, 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid, EINECS 248-477-6, BRN 0904563, 86TDZ5WP2B, 4-((4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy)-4-oxobutanoic acid, 4-Butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate (ester), Succinic acid, monoester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, NCGC00016799-01, CAS-27470-51-5, DSSTox_CID_1296, 4-Butyl-4-(beta-carboxypropionyl-oxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-, hydrogen succinate (ester), 3-((4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methoxycarbonyl)propionsaeure, DSSTox_RID_76066, DSSTox_GSID_21296, 4-{[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl]oxy}-4-oxobutanoic acid, Butanedioic acid, mono[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl] ester, SR-01000841241, Suxibuzone [INN:JAN], Suxibuzon, Suxibuzone [INN:BAN:JAN], Butanedioic acid, mono((4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl) ester, 4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER], Prestwick_113, Spectrum_000321, Suxibuzone (JAN/INN), AC1Q5VSO, Prestwick0_000658, Prestwick1_000658, Prestwick2_000658, Prestwick3_000658, Spectrum2_000966, Spectrum3_000664, Spectrum4_000433, Spectrum5_001113, Epitope ID:124941, AC1L1K6N, SCHEMBL25810, BSPBio_000695, BSPBio_002327, KBioGR_000786, KBioSS_000801, MLS002153938, DivK1c_000171, SPECTRUM1501157, SPBio_000971, SPBio_002616, BPBio1_000765, CHEMBL1414320, DTXSID6021296, CTK4F9751, HMS500I13, KBio1_000171, KBio2_000801, KBio2_003369, KBio2_005937, KBio3_001547, BRD5826, NINDS_000171, ONWXNHPOAGOMTG-UHFFFAOYSA-N, HMS1570C17, HMS1923I17, HMS2097C17, HMS2232E17, HMS3371A12, HMS3714C17, Pharmakon1600-01501157, BRD-5826, HY-B1079, ZINC3875039, Tox21_110615, Tox21_202352, Tox21_302778, CCG-40180, NSC757866, 1,2-Diphenyl-4-n-butyl-4-hydroxymethyl-3,5-dioxopyrazolidine Hemisuccinate, 4-butyl-4-(beta-carboxypropionyloxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, AKOS024374988, Tox21_110615_1, API0008442, CS-4635, MCULE-6012520847, NSC-757866, ACM27470515, IDI1_000171, NCGC00016799-02, NCGC00016799-03, NCGC00016799-04, NCGC00016799-05, NCGC00016799-06, NCGC00016799-08, NCGC00095261-01, NCGC00095261-02, NCGC00095261-03, NCGC00095261-04, NCGC00256470-01, NCGC00259901-01, CC-34619, SMR001233279, SBI-0051667.P002, LS-147486, AB00052229, FT-0630533, ST51015119, X6836, D01289, AB00052229_08, AB00052229_09, 470S515, C-22340, J-016775, SR-01000841241-2, SR-01000841241-3, BRD-K78815826-001-05-4, BRD-K78815826-001-08-8, Suxibuzone, European Pharmacopoeia (EP) Reference Standard, 4-[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methoxy]-4-oxobutanoic acid, 4-Butyl-4-(.beta.-carboxypropionyl-oxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, Butanedioic acid,1-[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl] ester, 3-{[(4-butyl-3,5-dioxo-1,2-diphenyl-1,2-diazolidin-4-yl)methyl]oxycarbonyl}pro panoic acid, Butanedioic acid, mono((4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl) ester (9CI), Danilon, suxibutazone, CID5362, AR-1F9199, C24-H26-N2-O6, C003371, 4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONEHYDROGENSUCCINATE[ESTER], Butanedioic acid mono-nu[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl] ester, succinic acid monoester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione, 28277-71-6, SB,

Complexity	661
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	438.179g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	438.48g/mol
Monoisotopic Mass	438.179g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P280-P301+P312+P330
UN Code

Certificate of Analysis

Lot Number