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Mosapride N-Oxide

CAT: 0024-sc-207895Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-207895Size:2.5 mg
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CAS Number
1161443-73-7

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

CatalogName
CS-O-05956Mosapride N-Oxide
RM-M191614-01Mosapride Impurity N
271811-01N, N-Diacetyl des-4-fluorobenzyl mosapride
TRC-D324750-10MGN,N-Diacetyl Des-4-fluorobenzyl Mosapride
TRC-D324740-2MGN,N-Diacetyl Des-5’-chloro-4-fluorobenzyl Mosapride
271812-01N, N-Diacetyl des-5'-chloro-4-fluorobenzyl mosapride
M4676-20Mosapride (4-amino-5-chloro-2-ethoxy-N-[[4- (4-fluorophenyl) methyl]-2-morpholinyl]methyl]-benzamide)
MBS6089546-01Mosapride (4-amino-5-chloro-2-ethoxy-N-[[4-(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-benzamide)
FM26090-01Mosapride

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