| CAS Number | 141996-98-7 |
| Catalog Number | AG007KAO(AGN-PC-0JEKOS) |
| Chemical Name | Itopride N-Oxide |
| IUPAC Name | 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]-N,N-dimethylethanamine oxide |
| InChI | InChI=1S/C20H26N2O5/c1-22(2,24)11-12-27-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(25-3)19(13-16)26-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23) |
| InChI Key | PZXRVVNIISGQFI-UHFFFAOYSA-N |
| MDL Number | MFCD23160304 |
| Molecular Formula | C20H26N2O5 |
| Molecular Weight | 374.4308 |
| SMILES | COc1ccc(cc1OC)C(=O)NCc2ccc(OCC[N+](C)(C)[O-])cc2 |
| Synonyms | Itopride N-Oxide,
141996-98-7,
CTK8E8754,
DTXSID00849552,
ZINC65743104,
AKOS030239742,
RT-013385,
FT-0670575,
J-007575,
N-[[4-[2-(Dimethyloxidoamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide,
2-{4-[(3,4-Dimethoxybenzamido)methyl]phenoxy}-N,N-dimethylethan-1-amine N-oxide,
N,N-Dimethyl-2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethanamine N-oxide,
N-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide N-Oxide,
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| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.437g/mol |
| Monoisotopic Mass | 374.184g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number