General Information
Drug ID
DR00074
Drug Name
Allopurinol
Synonyms
4-HPP; A 8003; AL-100; Adenock; Ailural; Ailurial; Allo-Puren; Allohexal; Allohexal (TN); Allohexan; Alloprin; Allopur; Allopurin; Allopurinol(I); Allopurinolum; Allorin; Allosig (TN); Allozym; Allpargin; Allural; Aloprim; Alopurinol; Aloral; Alositol; Aluline; Anoprolin; Anzief; Apo-Allopurinol; Apulonga; Apurin; Apurol; Atisuril; B. W. 56-158; BW 56-158; BW 56158; BW-56-158; Bleminol; Bloxanth; Caplenal; Capurate; Cellidrin; Cosuric; Dabrosin; Dabroson; Dura Al; Embarin; Epidropal; Epuric; Foligan; Geapur; Gichtex; Gotax; Hamarin; Hexanuret; Jenapurinol; Ketanrift; Ketobun-A; Ledopur; Lopurin; Lysuron; Milurit; Milurite; Miniplanor; Monarch; Nektrohan; Novopurol; Pan Quimica; Progout; Progout (TN); Pureduct; Puricos (TN); Purinol; Quimica, Pan; Remid; Riball; Rimapurinol; Roucol; Sigapurol; Suspendol; Takanarumin; Tipuric; Urbol; Uribenz; Uricemil; Uridocid; Uriprim; Uripurinol; Uritas; Urobenyl; Urolit; Urosin; Urtias; Urtias 100; Xanthomax; Xanturat; Xanturic; Zygout; Zyloprim; Zyloprim (TN); Zyloric; Zyloric (TN)
Drug Type
Small molecular drug
Indication Hyperuricaemia [ICD11:5C55.Y] Approved [1]
Therapeutic Class
Antimetabolites
Structure
3D MOL 2D MOL
Formula
C5H4N4O
Canonical SMILES
C1=NNC2=C1C(=O)NC=N2
InChI
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
CAS Number
CAS 315-30-0
Pharmaceutical Properties Molecular Weight 136.11 Topological Polar Surface Area 70.1
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
XLogP
-0.7
PubChem CID
135401907
PubChem SID
10321496 ,10518263 ,11110781 ,11335860 ,11361099 ,11362800 ,11365362 ,11367924 ,11371398 ,11373689 ,11376086 ,11449337 ,11462071 ,11483792 ,11487914 ,11490105 ,11491950 ,11493840 ,15119988 ,15146664 ,17389550 ,17404665 ,22395219 ,24278141 ,26611594 ,26679243 ,26697339 ,26747845 ,26747846 ,29221274 ,3133506 ,3727085 ,404525 ,4266415 ,42880554 ,46508516 ,47440268 ,47589009 ,47737041 ,48259236 ,4826301 ,48415533 ,48422551 ,594917 ,6262863 ,68199 ,7348782 ,7836064 ,8139898 ,8149190
ChEBI ID
ChEBI:40279
TTD Drug ID
D04KYY
DT(s) Transporting This Drug OAT2 Transporter Info Organic anion transporter 2 Substrate [2]
OAT3 Transporter Info Organic anion transporter 3 Substrate [3]
References
1 Allopurinol was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Isolation, characterization and differential gene expression of multispecific organic anion transporter 2 in mice. Mol Pharmacol. 2002 Jul;62(1):7-14.
3 Renal transport of organic compounds mediated by mouse organic anion transporter 3 (mOat3): further substrate specificity of mOat3. Drug Metab Dispos. 2004 May;32(5):479-83.

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