| CAS Number | 71675-92-8 |
| Catalog Number | AG00FGIP(AGN-PC-0TZ2H1) |
| Chemical Name | (S)-Amisulpride |
| IUPAC Name | 4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide |
| InChI | InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/t12-/m0/s1 |
| InChI Key | NTJOBXMMWNYJFB-LBPRGKRZSA-N |
| MDL Number | MFCD04112982 |
| Molecular Formula | C17H27N3O4S |
| Molecular Weight | 369.4790 |
| SMILES | C(NC[C@H]1N(CC)CCC1)(=O)C2=C(OC)C=C(N)C(S(CC)(=O)=O)=C2 |
| UNII | ES3TWM82E8 |
| Synonyms | UNII-ES3TWM82E8,
ES3TWM82E8,
71675-92-8,
Amisulpride, (S)-,
(S)-amisulpride,
(?)-Amisulpride,
AC1MHORM,
SCHEMBL675545,
NTJOBXMMWNYJFB-LBPRGKRZSA-N,
ZINC1846088,
Benzamide, 4-amino-N-(((2S)-1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-,
LS-25533,
UNII-8110R61I4U component NTJOBXMMWNYJFB-LBPRGKRZSA-N,
(S)-(-)-N-(1-ethyl-2-pyrrolidinylmethyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide,
4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide,
amisulpride,
CID3055076,
A10067,
71675-85-9,
|
| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.172g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.48g/mol |
| Monoisotopic Mass | 369.172g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number