Probenecid

CAS Number: 57-66-9

Molecular Mass: 285.36 g/mol

Formula: C₁₃H₁₉NO₄S

Smiles: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1

Synonymes:

Probenecid, probenecid, 57-66-9, 4-(Dipropylsulfamoyl)benzoic acid, Benemid, Probenecid acid, Probecid, Benecid, Apurina, Benuryl, Probalan, p-(Dipropylsulfamoyl)benzoic acid, Probenemid, Prolongine, Tubophan, Uricosid, Proben, Synergid R, Probenecide, Probenecidum, 4-[(dipropylamino)sulfonyl]benzoic acid, Probenecida, 4-((Dipropylamino)sulfonyl)benzoic acid, Probenate, NCI-C56097, 4-(Di-n-propylsulfamoyl)benzoesaeure, Benzoic acid, p-(dipropylsulfamoyl)-, 4-(N,N-Dipropylsulfamoyl)benzoesaeure, Benzoic acid, 4-[(dipropylamino)sulfonyl]-, p-(Dipropylsulfamyl)benzoic acid, Benzoic acid, 4-((dipropylamino)sulfonyl)-, DTXSID9021188, NSC-18786, CHEBI:8426, PO572Z7917, DTXCID901188, 4-11-00-00691 (Beilstein Handbook Reference), NSC18786, ORLYNVAH COMPONENT PROBENECID, Probampicin, SK-Probenecid, 4-(Dipropylaminosulfonyl)benzoic acid, RefChem:55914, M04AB01, probenate (see under pivampicillin), 200-344-3, Probexin, MFCD00038402, 4-(N,N-Dipropylsulfamoyl)benzoic Acid, NSC 18786, Probenecid (Standard), CHEMBL897, MLS000028496, 4-Dipropylsulfamoyl-benzoic acid, Benemide, Probenid, Robenecid, s4022, CAS-57-66-9, probenicid, NCGC00016251-08, SMR000058280, Probenecide [INN-French], Probenecidum [INN-Latin], Probenecida [INN-Spanish], Benemid (TN), CCRIS 3643, HSDB 3387, SR-01000003108, EINECS 200-344-3, BRN 2815775, AI3-50078, Probenecid CRS, UNII-PO572Z7917, Probenecid [USP:INN:BAN:JAN], RTO, Prestwick_809, Probenecid (Benemid), Spectrum_000834, ColBenemid (Salt/Mix), Opera_ID_677, PROBENECID [MI], PROBENECID [INN], PROBENECID [JAN], Prestwick0_000542, Prestwick1_000542, Prestwick2_000542, Prestwick3_000542, Spectrum2_001294, Spectrum3_000554, Spectrum4_000486, Spectrum5_001419, PROBENECID [HSDB], Epitope ID:180853, PROBENECID [MART.], SCHEMBL3663, PROBENECID [USP-RS], PROBENECID [WHO-DD], PROBENECID [WHO-IP], BIDD:PXR0092, Oprea1_416955, WLN: QVR DSWN3&3, BSPBio_000583, BSPBio_002227, KBioGR_000971, KBioSS_001314, MLS001076472, BIDD:GT0626, DivK1c_000056, SPECTRUM1500502, SPBio_001327, SPBio_002504, BPBio1_000643, GTPL4357, orb1310594, orb3025175, Probenecid (JP18/USP/INN), Probenecid - Bio-X trade mark, PROBENECID [EP IMPURITY], PROBENECID [ORANGE BOOK], SCHEMBL26599943, HMS500C18, HY-B0545R, KBio1_000056, KBio2_001314, KBio2_003882, KBio2_006450, KBio3_001727, Probenecide, 1mg/ml in Methanol, PROBENECID [EP MONOGRAPH], PROBENECID [USP IMPURITY], NINDS_000056, GLXC-06088, HMS1569N05, HMS1920J22, HMS2092C03, HMS2096N05, HMS2233N05, HMS3259G04, HMS3369L18, HMS3652O17, HMS3713N05, HMS3743E07, HMS3885I18, HMS5082L17, p-(Dipropylsulfamoyl) benzoic acid, Pharmakon1600-01500502, PROBENECID [USP MONOGRAPH], ALBB-025846, HY-B0545, MSK10518, PROBENECIDUM [WHO-IP LATIN], PXB65787, STR06053, PROBEN-C COMPONENT PROBENECID, Tox21_110328, Tox21_202110, Tox21_302928, BDBM50206509, CCG-39232, EBC-03820, NSC757292, SBB028597, STL229614, COLBENEMID COMPONENT PROBENECID, 4-Dipropylsulfamoyl-benzoic acid anion, AKOS000165123, PROBAMPACIN COMPONENT PROBENECID, Tox21_110328_1, AC-2023, DB01032, FD27163, HC 5006, NC00530, NSC-757292, SB17360, IDI1_000056, 4-[(dipropylamino)sulphonyl]benzoic acid, NCGC00016251-01, NCGC00016251-02, NCGC00016251-03, NCGC00016251-04, NCGC00016251-05, NCGC00016251-06, NCGC00016251-07, NCGC00016251-09, NCGC00016251-10, NCGC00016251-13, NCGC00016251-17, NCGC00023829-03, NCGC00023829-04, NCGC00023829-05, NCGC00023829-06, NCGC00023829-07, NCGC00256441-01, NCGC00259659-01, BP166195, COL-PROBENECID COMPONENT PROBENECID, ST099094, 4-(N,N-dipropylaminosulphonyl)benzoic acid, SBI-0051492.P003, 4-Dipropylsulfamoyl-benzoic acid(probenecid), AB00052080, CS-0695004, NS00004996, P1975, SW196943-3, T0457, EN300-69677, C07372, D00475, D92177, AB00052080_15, AB00052080_16, F358404, Q900898, SR-01000003108-2, SR-01000003108-3, BRD-K95237249-001-05-9, BRD-K95237249-001-15-8, BRD-K95237249-001-25-7, BRD-K95237249-001-26-5, Z53037954, Probenecid, European Pharmacopoeia (EP) Reference Standard, Probenecid, United States Pharmacopeia (USP) Reference Standard

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	283.15	-	23.57	[378]
1-Butanol	288.15	-	28.14	[378]
1-Butanol	293.15	-	34.22	[378]
1-Butanol	298.15	-	41.15	[378]
1-Butanol	303.15	-	49.73	[378]
1-Butanol	308.15	-	58.15	[378]
1-Butanol	313.15	-	68.64	[378]
1-Butanol	318.15	-	81.31	[378]
1-Butanol	323.15	-	94.52	[378]
1-Pentanol	283.15	-	23.6	[378]
1-Pentanol	288.15	-	27.6	[378]
1-Pentanol	293.15	-	32.98	[378]
1-Pentanol	298.15	-	39.03	[378]
1-Pentanol	303.15	-	45.36	[378]
1-Pentanol	308.15	-	51.36	[378]
1-Pentanol	313.15	-	60.48	[378]
1-Pentanol	318.15	-	69.84	[378]
1-Pentanol	323.15	-	82.14	[378]
1-Propanol	283.15	-	21.08	[378]
1-Propanol	288.15	-	25.32	[378]
1-Propanol	293.15	-	32.37	[378]
1-Propanol	298.15	-	41.3	[378]
1-Propanol	303.15	-	51.7	[378]
1-Propanol	308.15	-	62.2	[378]
1-Propanol	313.15	-	79.0	[378]
1-Propanol	318.15	-	93.81	[378]
1-Propanol	323.15	-	110.2	[378]
Acetone	283.15	-	51.98	[378]
Acetone	288.15	-	58.74	[378]
Acetone	293.15	-	69.42	[378]
Acetone	298.15	-	79.26	[378]
Acetone	303.15	-	91.55	[378]
Acetone	308.15	-	104.6	[378]
Acetone	313.15	-	121.6	[378]
Acetone	318.15	-	135.5	[378]
Acetone	323.15	-	158.5	[378]
Butyl acetate	283.15	-	6.759	[378]
Butyl acetate	288.15	-	8.286	[378]
Butyl acetate	293.15	-	10.3	[378]
Butyl acetate	298.15	-	12.17	[378]
Butyl acetate	303.15	-	14.07	[378]
Butyl acetate	308.15	-	16.57	[378]
Butyl acetate	313.15	-	20.77	[378]
Butyl acetate	318.15	-	25.23	[378]
Butyl acetate	323.15	-	29.76	[378]
Ethanol	283.15	-	25.11	[378]
Ethanol	288.15	-	30.38	[378]
Ethanol	293.15	-	39.31	[378]
Ethanol	298.15	-	47.19	[378]
Ethanol	303.15	-	57.26	[378]
Ethanol	308.15	-	73.43	[378]
Ethanol	313.15	-	93.13	[378]
Ethanol	318.15	-	112.1	[378]
Ethanol	323.15	-	135.6	[378]
Ethyl acetate	283.15	-	11.34	[378]
Ethyl acetate	288.15	-	13.53	[378]
Ethyl acetate	293.15	-	16.06	[378]
Ethyl acetate	298.15	-	19.22	[378]
Ethyl acetate	303.15	-	23.82	[378]
Ethyl acetate	308.15	-	28.63	[378]
Ethyl acetate	313.15	-	34.02	[378]
Ethyl acetate	318.15	-	39.44	[378]
Ethyl acetate	323.15	-	46.56	[378]
Isobutanol	283.15	-	11.35	[378]
Isobutanol	288.15	-	14.13	[378]
Isobutanol	293.15	-	17.79	[378]
Isobutanol	298.15	-	22.16	[378]
Isobutanol	303.15	-	27.9	[378]
Isobutanol	308.15	-	33.34	[378]
Isobutanol	313.15	-	39.9	[378]
Isobutanol	318.15	-	48.44	[378]
Isobutanol	323.15	-	60.82	[378]
Isopropanol	283.15	-	23.81	[378]
Isopropanol	288.15	-	28.69	[378]
Isopropanol	293.15	-	33.48	[378]
Isopropanol	298.15	-	39.89	[378]
Isopropanol	303.15	-	45.57	[378]
Isopropanol	308.15	-	55.99	[378]
Isopropanol	313.15	-	66.97	[378]
Isopropanol	318.15	-	77.72	[378]
Isopropanol	323.15	-	95.45	[378]
Methanol	283.15	-	26.15	[378]
Methanol	288.15	-	34.57	[378]
Methanol	293.15	-	43.13	[378]
Methanol	298.15	-	56.75	[378]
Methanol	303.15	-	74.01	[378]
Methanol	308.15	-	92.91	[378]
Methanol	313.15	-	116.4	[378]
Methanol	318.15	-	140.5	[378]
Methanol	323.15	-	172.3	[378]
Methyl acetate	283.15	-	16.43	[378]
Methyl acetate	288.15	-	19.81	[378]
Methyl acetate	293.15	-	23.73	[378]
Methyl acetate	298.15	-	28.58	[378]
Methyl acetate	303.15	-	33.84	[378]
Methyl acetate	308.15	-	39.9	[378]
Methyl acetate	313.15	-	45.69	[378]
Methyl acetate	318.15	-	53.55	[378]
Methyl acetate	323.15	-	62.74	[378]
tert-Butyl methyl ether	283.15	-	11.27	[378]
tert-Butyl methyl ether	288.15	-	12.9	[378]
tert-Butyl methyl ether	293.15	-	16.08	[378]
tert-Butyl methyl ether	298.15	-	19.24	[378]
tert-Butyl methyl ether	303.15	-	22.74	[378]
tert-Butyl methyl ether	308.15	-	26.24	[378]
tert-Butyl methyl ether	313.15	-	30.46	[378]
tert-Butyl methyl ether	318.15	-	36.59	[378]
tert-Butyl methyl ether	323.15	-	43.28	[378]

Molecule 3D descriptors

Descriptor	Value
PMI1	979.1492
PMI2	2753.5196
PMI3	2934.9925
NPR1	0.3336
NPR2	0.9382
RadiusOfGyration	3.4180
InertialShapeFactor	0.0010
Eccentricity	0.9427
Asphericity	0.3152
SpherocityIndex	0.2858
PBF	0.9434