Details of the Drug

General Information of Drug (ID: DMAVIPZ)

• Drug Name: HSR-803
• Synonyms: Ganaton; ITOPRIDE HCl; Itopride (hydrochloride); Q-201260; itopride hydrochloride; 122892-31-3; 2H9NV66W0I; C20H27ClN2O4; DSSTox_CID_26693; DSSTox_GSID_46693; DSSTox_RID_81827; HSR-803; HSR803; Hsr 803; Itax; MFCD00881710; N-((4-(2-(Dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxybenzamide monohydrochloride; N-(4-(2-(Dimethylamino)ethoxy)benzyl)-3,4-dimethoxidebenzamide hydrochloride; N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzmide; UNII-2H9NV66W0I; n-[4-(2-dimethylaminoethoxy)benzyl]-3,4-dimethoxybenzamide hcl
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 394.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C20H27ClN2O4
  IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride
  Canonical SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl
  InChI: InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H
  InChIKey: ZTOUXLLIPWWHSR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129791
  CAS Number: 122892-31-3
  INTEDE ID: DR0894
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Dimethylaniline oxidase 3 (FMO3) Main DME	DEP76YL	FMO3_HUMAN	Substrate	[1]

References

• [1] Development of a physiologically based pharmacokinetic model to predict the effects of flavin-containing monooxygenase 3 (FMO3) polymorphisms on itopride exposure. Biopharm Drug Dispos. 2017 Sep;38(6):389-393.