Details of the Drug

General Information of Drug (ID: DMFIQ20)

Drug Name
Orphenadrine citrate
Synonyms
Orfenadrina; Orfenadrina [INN-Spanish]; Orphenadine; Orphenadinum; Orphenadrin; Orphenadrine [INN:BAN]; Orphenadrinum; Orphenadrinum [INN-Latin]; Orphenate; Orphenedrine; WS 2434; o-Methyldiphenhydramine; o-Monomethyldiphenhydramine; orphenadrine; 2-(Phenyl-o-tolylmethoxy)ethyldimethylamine; 2-Methyldiphenhydramine; 83-98-7; EINECS 201-509-2; HSDB 3139; Phenyl-o-tolylmethyl dimethyaminoethyl ether; beta-Dimethylaminoethyl 2-methylbenzhydryl ether; Biorphen; Brocadisipal; Brocasipal; Disipal; Invagesic; Mephenamine; Norgesic; Banflex; Euflex; Flexoject; Flexon; Flexor; Norflex; Norflex (pharmaceutical); Orphenadrine (Citrate); Orphenadrine citrate; Orphenadrine citrate (Norflex); Orphenadrine citrate [USP]; Orphenadrine citrate salt; Orphenadrine dihydrogen citrate; Plenactol; Tega-Flex; X-Otag; 2-hydroxypropane-1,2,3-tricarboxylic acid; 4596-23-0; 4682-36-4; CHEBI:7790; EINECS 225-137-5; N,N-Dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine citrate (1:1); NCGC00094745-01; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 461.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 11
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 9
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 13 - 20 hours [1]
Metabolism
The drug is metabolized via the liver []
Chemical Identifiers
Formula
C24H31NO8
IUPAC Name
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
MMMNTDFSPSQXJP-UHFFFAOYSA-N
InChIKey
1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Cross-matching ID
PubChem CID
83823
ChEBI ID
CHEBI:7790
CAS Number
4682-36-4
INTEDE ID
DR2438

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_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 Orphenadrine and methimazole inhibit multiple cytochrome P450 enzymes in human liver microsomes. Drug Metab Dispos. 1997 Mar;25(3):390-3.