Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: MF497J489P
Parent Compound: MOSAPRIDE

Structure

InChI Key HUZTYZBFZKRPFG-UHFFFAOYSA-N
Smile CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H33ClFN3O10
Molecular Weight 614.02
AlogP 3.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 76.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dyspepsia 3 D004415 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1733174
EPA CompTox DTXSID7046207
FDA SRS MF497J489P
PubChem 119583
SureChEMBL SCHEMBL258620