| CAS Number | 852391-20-9 |
| Catalog Number | AG00G3PD(AGN-PC-0UZ2HB) |
| Chemical Name | Necrostatin 2 S-Enantiomer |
| IUPAC Name | (5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione |
| InChI | InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m0/s1 |
| InChI Key | WIKGAEMMNQTUGL-JTQLQIEISA-N |
| MDL Number | MFCD26960959 |
| Molecular Formula | C13H12ClN3O2 |
| Molecular Weight | 277.7063 |
| SMILES | C1(=O)N[C@@H](CC2C3=C(NC=2)C(Cl)=CC=C3)C(=O)N1C |
| Synonyms | Necrostatin 2 S enantiomer,
Necrostatin 2 (S enantiomer),
852391-20-9,
Necrostatin 2 S-Enantiomer,
Necrostatin-2 S enantioMer,
SCHEMBL859928,
CHEMBL365607,
(5r)-5-[(7-Chloro-1h-Indol-3-Yl)methyl]-3-Methylimidazolidine-2,4-Dione,
HY-14622B,
ZINC13983472,
AKOS030526930,
CS-1665,
NCGC00390744-01,
A3961,
A15327,
A15328,
852391-15-2,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.708g/mol |
| Monoisotopic Mass | 277.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number