Allopurinol
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Grundinformationen
- CAS
184789-03-5- Standard-SMILES
O=c1[nH]cnc2[nH]ncc12- InChIKey
OFCNXPDARWKPPY-UHFFFAOYSA-N- Summenformel
- C5H4N4O
- Durchschnittliche Molmasse
- 136,114 g/mol
- Monoisotopische Masse
- 136,03851075
Namen und Bezeichner
- Bevorzugter Name
- Allopurinol
- IUPAC
- 1,7-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- Lokaler Name
- Allopurinol
- Englischer Name
- Allopurinol
- Summenformel
- C5H4N4O
- Molmasse
- 136.11
Namen und Synonyme
HPPALO4-HPP1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OLZyloprim1H-pyrazolo[4,3-d]pyriMidin-7-ol4-HydroxAllopurinol(I)Allopurinol CRSRemid
Datenbank-Bezeichner
- CAS
184789-03-5、315-30-0、691008-24-9- PubChem CID
- 135401907
- DTXSID
DTXSID4022573- ChEMBL
CHEMBL1467- ChEBI
CHEBI:40279- UNII
- 63CZ7GJN5I
- EC Number
- 206-250-9
- Nikkaji
- J2.034F
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 250.36 °C · 250.36°C (rough estimate)
- Dichte
- 1.4295 · 1.4295 (rough estimate)
- Brechungsindex
- 1.85 · 1.8500 (estimate)
- storage temp.
- 15 · 15-25°C
- Löslichkeit
- 1 M · 1 M NaOH: soluble50mg/mL, clear to very slightly hazy, colorless to faintly yellow
- Aggregatzustand
- Powder
- pka
- 10.2 · 10.2(at 25℃)
- Farbe
- White or almost white
- Biologische Quelle
- synthetic (organic)
- Wasserlöslichkeit
- 0.35 g/L · 0.35 g/L (25 ºC)
- Merck
- 14 · 14,279
- Henry's Law Constant
- 4.9 · 4.9×108 mol/(m3Pa) at 25℃, HSDB (2015)
- BCS Class
- 3 · 3,1
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
- InChIKey
- OFCNXPDARWKPPY-UHFFFAOYSA-N
- SMILES
- O=C1NC=Nc2[nH]ncc12
- CAS Datenbank
- 315 · 315-30-0(CAS DataBase Reference)
- NIST chemische Informationen
- Allopurinol(315-30-0)
- EPA chemische Informationen
- Allopurinol (315-30-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29335990
- RTECS-Nr.
- UR0785000
- risk_code
- 25-43-36/37/38-20/21/22
- Toxizität
- LD50 oral in mouse: 78mg/kg
- hazard_code
- T,Xi,Xn
- safety_code
- 28-36/37-45-36/37/39-26-24-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Giftige Stoffe Daten
- 315-30-0(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 OralSkin Sens. 1
Chemie und Industrie
Anwendungen
VerwendenAllopurinol does not reduce serum uric acid levels by increasing renal uric acid excretion; instead it lowers plasma urate levels by inhibiting the final steps in uric acid biosynthesis. Uric acid in humans is formed primarily by xanthine oxidase-catalyzed oxidation of hypoxanthine and xanthine to uric acid. Allopurinol (8) and its primary metabolite, alloxanthine (9) [CAS: 2465-59-0], are inhibitors of xanthine oxidase. Inhibition of the last two steps in uric acid biosynthesis by blocking xanthine oxidase reduces the plasma concentration and urinary excretion of uric acid and increases the plasma levels and renal excretion of the more soluble oxypurine precursors. Normally, in humans the urinary purine content is almost solely uric acid; treatment with allopurinol results in the urinary excretion of hypoxanthine, xanthine, and uric acid, each with its independent solubility. Lowering the uric acid concentration in plasma below its limit of solubility facilitates the dissolution of uric acid deposits. The effectiveness of allopurinol in the treatment of gout and hyperuricemia that results from hematogical disorders and antineoplastic therapy has been demonstrated.
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