| CAS Number | 1241675-76-2 |
| Catalog Number | AG01ENG5(AGN-PC-3H45L2) |
| Chemical Name | (R)-DRF053 dihydrochloride |
| IUPAC Name | (2R)-2-[[9-propan-2-yl-6-(3-pyridin-2-ylanilino)purin-2-yl]amino]butan-1-ol;dihydrochloride |
| InChI | InChI=1S/C23H27N7O.2ClH/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19;;/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29);2*1H/t17-;;/m1../s1 |
| InChI Key | BQPRBNGSDBTKAK-ZEECNFPPSA-N |
| MDL Number | MFCD16618395 |
| Molecular Formula | C23H28ClN7O |
| Molecular Weight | 453.9677 |
| SMILES | N(C1=C2C(N(C(C)C)C=N2)=NC(N[C@H](CC)CO)=N1)C3=CC(=CC=C3)C4=CC=CC=N4.Cl |
| Synonyms | (R)-DRF053 dihydrochloride,
1241675-76-2,
CTK8E7296,
AKOS024457715,
RT-017320,
B7445,
J-005047,
2-[[9-(1-Methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-1-butanol dihydrochloride,
1056016-06-8,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 490.433g/mol |
| Monoisotopic Mass | 489.181g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number