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Mosapride N-Oxide

CAT: 0804-HY-148846-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148846-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mosapride N-Oxide is a major active metabolite of Mosapride. Mosapride is a gastroprokinetic agent that acts as a selective 5HT4 agonist.
CAS Number
1161443-73-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/mosapride-n-oxide.html
Purity
96.70
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(OCC)C=C(N)C(Cl)=C1)NCC2OCC[N+](CC3=CC=C(C=C3)F)(C2)[O-]
Molecular Formula
C21H25ClFN3O4
Molecular Weight
437.89
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Kunjie Li, et al. The tissue distribution and excretion study of mosapride and its active des-p-fluorobenzyl and 4'-N-oxide metabolites in rats by ultra-high performance liquid chromatography-tandem mass spectrometry method. Xenobiotica. 2020 Feb;50 (2) :115-124.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mosapride N-Oxide
CAS Number1161443-73-7
PubChem CID71750822
IUPAC Name4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-4-oxidomorpholin-4-ium-2-yl]methyl]benzamide
Molecular FormulaC21H25ClFN3O4
Molecular Weight437.9
XLogP2.3
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2C[N+](CCO2)(CC3=CC=C(C=C3)F)[O-])Cl)N
InChI
InChI=1S/C21H25ClFN3O4/c1-2-29-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(28,7-8-30-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
IMJYXYWPAQJNFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mosapride N-Oxide
CAS: 1161443-73-7
CID: 71750822
Formula: C21H25ClFN3O4
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass437.1517621
Monoisotopic Mass437.1517621
Topological Polar Surface Area91.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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