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Mosapride citrate 100mg

CAT: 0628-A10607-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A10607-100Size:100 mg
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CAS Number
112885-42-4

Chemical Information

Mosapride citrate
CAS Number112885-42-4
PubChem CID119583
IUPAC Name4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC27H33ClFN3O10
Molecular Weight614.0
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity749
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)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)
InChIKey
HUZTYZBFZKRPFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mosapride citrate
CAS: 112885-42-4
CID: 119583
Formula: C27H33ClFN3O10
MW: 614.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass613.1838501
Monoisotopic Mass613.1838501
Topological Polar Surface Area209 Ų
Heavy Atom Count42
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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