Details of the Drug

General Information of Drug (ID: DM0AEPG)

• Drug Name: Triacetin
• Synonyms: triacetin; 102-76-1; Glyceryl triacetate; Glycerol triacetate; Enzactin; Glycerin triacetate; Triacetine; Triacetylglycerol; Fungacetin; Glyped; Triacetyl glycerine; Vanay; Kesscoflex TRA; Kodaflex triacetin; 1,2,3-Propanetriol, triacetate; Acetin, tri-; Triacetinum; Triacetina; 1,2,3-triacetoxypropane; 1,2,3-Propanetriol triacetate; propane-1,2,3-triyl triacetate; Triacetyl glycerin; Triacetyl glycerol; 1,2,3-Propanetriyl triacetate; Triacetin [INN]; 1,2,3-Triacetylglycerol; 1,2,3-Propanetriol, 1,2,3-triacetate; FEMA Number 2007

Indication

Disease Entry	ICD 11	Status	REF
Onychomycosis	EE12.1	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 218.2
  Topological Polar Surface Area (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C9H14O6
  IUPAC Name: 2,3-diacetyloxypropyl acetate
  Canonical SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C
  InChI: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
  InChIKey: URAYPUMNDPQOKB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5541
  ChEBI ID: CHEBI:9661
  CAS Number: 102-76-1
  DrugBank ID: DB16005
  TTD ID: D0Q6DX
  INTEDE ID: DR1925

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Carboxyl ester lipase (CEL) Main DME	DEQU4N2	CEL_HUMAN	Substrate	[2]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Lipoamidase activity in normal and mutagenized pancreatic cholesterol esterase (bile salt-stimulated lipase). Biochem J. 1993 Apr 1;291 ( Pt 1):65-9.