Mosapride CitrateProduct ingredient for Mosapride

Name
Mosapride Citrate
Drug Entry
Mosapride

Mosapride is under investigation for the treatment and prevention of Postoperative Ileus and Gastric Peroral Endoscopic Pyloromyotomy (G-POEM). Mosapride has been investigated for the treatment and diagnostic of Constipation, Type 2 Diabetes, Functional Dyspepsia, Functional Constipation, and Epigastric Pain Syndrome, among others.

Accession Number
DBSALT002047
Structure
Synonyms
Not Available
UNII
MF497J489P
CAS Number
112885-42-4
Weight
Average: 614.02
Monoisotopic: 613.1838501
Chemical Formula
C27H33ClFN3O10
InChI Key
HUZTYZBFZKRPFG-UHFFFAOYSA-N
InChI
InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzene-1-carboximidic acid
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=C(C=C(Cl)C(N)=C1)C(O)=NCC1CN(CC2=CC=C(F)C=C2)CCO1
ChemSpider
106779
ChEMBL
CHEMBL1733174
Predicted Properties
PropertyValueSource
Water Solubility0.0237 mg/mLALOGPS
logP3.04ALOGPS
logP3.46Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)7.9Chemaxon
pKa (Strongest Basic)6.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.31 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity112.86 m3·mol-1Chemaxon
Polarizability43.82 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon