Details of the Drug

General Information of Drug (ID: DM0UGYX)

Drug Name
Medifoxamine
Synonyms
Medifoxamina; Medifoxamina [INN-Spanish]; Medifoxamine; Medifoxamine (INN); Medifoxamine [INN:DCF]; Medifoxaminum; Medifoxaminum [INN-Latin]; KWU7C2A1NT; ZX-AT022754; (Dimethylamino)acetaldehyde diphenyl acetal; 32359-34-5; AC1L1V3V; Acetaldehyde, (dimethylamino)-, diphenyl acetal; BRN 2054310; C16H19NO2; CHEBI:135061; CHEMBL85231; CTK4G8876; DTXSID80186078; EINECS 251-011-4; Ethanamine, N,N-dimethyl-2,2-diphenoxy-; N,N-Dimethyl-2,2-diphenoxyethanamine; N,N-Dimethyl-2,2-diphenoxyethylamine; SCHEMBL49319; UNII-KWU7C2A1NT
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 257.329
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 13.7 mL/min/kg [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 4.4 hours [1]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 2.8 L/kg [1]
Chemical Identifiers
Formula
C16H19NO2
IUPAC Name
N,N-dimethyl-2,2-diphenoxyethanamine
Canonical SMILES
CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
QNMGHBMGNRQPNL-UHFFFAOYSA-N
InChIKey
1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
Cross-matching ID
PubChem CID
36109
ChEBI ID
CHEBI:135061
CAS Number
32359-34-5
DrugBank ID
DB13219
INTEDE ID
DR1009

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2A6 (CYP2A6) DEJVYAZ CP2A6_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.