| CAS Number | 1391054-22-0 |
| Catalog Number | AG01CCC4(AGN-PC-0WH35C) |
| Chemical Name | 4-Amino-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxy-N-methylbenzamide (Amisulpride Impurity) |
| IUPAC Name | 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-N-methylbenzamide |
| InChI | InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20(3)18(22)14-10-17(26(23,24)6-2)15(19)11-16(14)25-4/h10-11,13H,5-9,12,19H2,1-4H3 |
| InChI Key | PMLIJXXZFCRLES-UHFFFAOYSA-N |
| MDL Number | MFCD24386581 |
| Molecular Formula | C18H29N3O4S |
| Molecular Weight | 383.5056 |
| SMILES | O=C(N(CC1N(CCC1)CC)C)C2=C(OC)C=C(N)C(S(=O)(CC)=O)=C2 |
| Synonyms | N-Methyl Amisulpride,
N-Methylamisulpride,
Amisulpride impurity H [EP],
1391054-22-0,
SCHEMBL11929291,
J3.600.801F,
4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-N-methylbenzamide,
N-(1-Ethylpyrrolidine-2-ylmethyl)-N-methyl-4-amino-5-(ethylsulfonyl)-2-methoxybenzamide,
4-Amino-N-(((2RS)-1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxy-N-methylbenzamide,
Benzamide, 4-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-N-methyl-,
UNII-NM73EV997H,
NM73EV997H,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.507g/mol |
| Monoisotopic Mass | 383.188g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number