Nomifensine maleateProduct ingredient for Nomifensine

Name
Nomifensine maleate
Drug Entry
Nomifensine

Nomifensine, formerly marketed as Merital capsules, was associated with an increased incidence of hemolytic anemia. The approved application holder removed Merital capsules from the market on January 23, 1986. FDA published a notice of its determination that Merital capsules were removed from the market for safety reasons (see the Federal Register of June 17, 1986 (51 FR 21981)). Approval of the NDA for Merital capsules was withdrawn on March 20, 1992 (see the Federal Register of March 20, 1992 (57 FR 9729)). Also withdrawn from the Canadian and UK markets.

Accession Number
DBSALT002854
Structure
Synonyms
(+-)-Nomifensine hydrogen maleate / Nomifensine hydrogen maleate / Nomifensine maleate
External IDs
HOE 984
UNII
76S8CUH5MR
CAS Number
32795-47-4
Weight
Average: 354.406
Monoisotopic: 354.157957196
Chemical Formula
C20H22N2O4
InChI Key
GEOCVSMCLVIOEV-BTJKTKAUSA-N
InChI
InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILES
OC(=O)\C=C/C(O)=O.CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2
ChemSpider
4513974
ChEMBL
CHEMBL1256842
Predicted Properties
PropertyValueSource
Water Solubility0.318 mg/mLALOGPS
logP2.94ALOGPS
logP2.62Chemaxon
logS-2.9ALOGPS
pKa (Strongest Basic)8.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.26 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity77.18 m3·mol-1Chemaxon
Polarizability27.53 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon