| CAS Number | 1448867-42-2 |
| Catalog Number | AG01EO3Z(AGN-PC-3H4665) |
| Chemical Name | Siremadlin (R Enantiomer) |
| IUPAC Name | 5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one |
| InChI | InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3 |
| InChI Key | AGBSXNCBIWWLHD-UHFFFAOYSA-N |
| MDL Number | MFCD31619298 |
| Molecular Formula | C26H24Cl2N6O4 |
| Molecular Weight | 555.4126 |
| SMILES | C1(C2=CN=C(OC)N=C2OC)=NC2C(=O)N(C3=CC(Cl)=CN(C)C3=O)[C@H](C3=CC=C(Cl)C=C3)C=2N1C(C)C |
| Synonyms | NVP-HDM201 R Enantiomer,
1448867-42-2,
US8815926, 101,
BDBM6863,
CHEMBL3657129,
SCHEMBL15142725,
US8815926, 295,
NVP-HDM 201,
1448867-41-1,
|
| Complexity | 987 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 554.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 555.416g/mol |
| Monoisotopic Mass | 554.124g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number