1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione
O=C1/N=C2\C(C(=O)N1)=C/NN2 CopyCopied
InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) CopyCopied
HXNFUBHNUDHIGC-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1H-Pyrazolo(3,4-d)pyrimidine-4,6(5H,7H)-dione
1H-Pyrazolo[3,4-d]pyrimidin-4,6(2H,5H)-dion
1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol
1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diol
Oxypurinol [USAN]
"4,6-Dihydroxypyrazolo[3,4-d]pyrimidine"
139956 [Beilstein]
184764-63-4 [RN]
187486-05-1 [RN]
1H-Pyrazolo(3,4-d)pyrimidine, 4,6(5H,7H)-dione
1H-Pyrazolo(3,4-d)pyrimidine,4,6(5H,7H)-dione
1h-pyrazolo(3,4-d)pyrimidine-4,6(2h,5h)-dione
1H-Pyrazolo(3,4-d)pyrimidine-4,6-diol
1H-Pyrazolo[3,4-d]pyrimidine, 4,6(5H,7H)-dione
1H-Pyrazolo[3,4-d]pyrimidine-4,6 (5H, 7H)-dione
1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
219-570-9 [EINECS]
2465-59-0 [RN]
2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE
4, 6-Dihydroxypyrazolo[3,4-d]pyrimidine
4,6-Dihydropyrazolo Pyrimidine
4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine
4,6-Dihydroxypyrazolo(3,4-d)pyrimidine
4,6-Dihydroxypyrazolo[3,4-d]pyrimidine
6-Hydroxy allopurinol
B. W. 55-5
BW 55-5
DHPP
Ossipurinolo [DCIT]
Oxipurinol
Oxipurinolum [Latin]
Oxoallopurinol
Oxypurinol [USAN:BAN] [USAN]
pyrazolo[5,4-d]pyrimidine-4,6-diol
AI3-50432 [DBID]
AIDS224399 [DBID]
AIDS-224399 [DBID]
BW 555 [DBID]
C07599 [DBID]
D02365 [DBID]
EPA Pesticide Chemical Code 447509 [DBID]
NSC 76239 [DBID]
NSC76239 [DBID]
O6881_SIGMA [DBID]
ZINC00897049 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 511.56 (Adapted Stein & Brown method) Melting Pt (deg C): 218.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.22E-010 (Modified Grain method) Subcooled liquid VP: 1.4E-008 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.594e+005 log Kow used: -2.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.413E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.17 (KowWin est) Log Kaw used: -12.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.125 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6751 Biowin2 (Non-Linear Model) : 0.7003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8630 (weeks ) Biowin4 (Primary Survey Model) : 3.6283 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1072 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7626 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.87E-006 Pa (1.4E-008 mm Hg) Log Koa (Koawin est ): 10.125 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61 Octanol/air (Koa) model: 0.00327 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.983 Mackay model : 0.992 Octanol/air (Koa) model: 0.208 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 145.2490 E-12 cm3/molecule-sec Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.884 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 232.5 Log Koc: 2.367 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -2.17 (estimated) Volatilization from Water: Henry LC: 1.24E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.823E+010 hours (2.426E+009 days) Half-Life from Model Lake : 6.353E+011 hours (2.647E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.69e-005 1.75 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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