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
Structure
3D MOL is unavailable 2D MOL
#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
ZTOUXLLIPWWHSR-UHFFFAOYSA-N
InChIKey
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
Cross-matching ID
PubChem CID
129791
CAS Number
122892-31-3
INTEDE ID
DR0894

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.