Orphenadrine citrateProduct ingredient for Orphenadrine

Name
Orphenadrine citrate
Drug Entry
Orphenadrine

A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.

Accession Number
DBSALT000400
Structure
Thumb
Synonyms
Orphenadrine (citrate)
UNII
X0A40N8I4S
CAS Number
4682-36-4
Weight
Average: 461.5048
Monoisotopic: 461.204966973
Chemical Formula
C24H31NO8
InChI Key
MMMNTDFSPSQXJP-UHFFFAOYSA-N
InChI
InChI=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)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C
External Links
PubChem Compound
20846
ChemSpider
19620
ChEBI
7790
ChEMBL
CHEMBL1200395
Wikipedia
Orphenadrine
Predicted Properties
PropertyValueSource
Water Solubility0.03 mg/mLALOGPS
logP3.5ALOGPS
logP4.17ChemAxon
logS-4ALOGPS
pKa (Strongest Basic)8.87ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.47 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity84.97 m3·mol-1ChemAxon
Polarizability31.8 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon