| CAS Number | 152815-28-6 |
| Catalog Number | AG01ENOD(AGN-PC-3H4611) |
| Chemical Name | 1-(3-Nitrophenyl)-3-(4-pyridinylmethyl)-pyrido[2,3-d]pyrimidine-2,3-(1H,3H)-dionehydrochloride |
| IUPAC Name | 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C19H13N5O4.ClH/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;/h1-11H,12H2;1H |
| InChI Key | ROSFKXDQMBPYQQ-UHFFFAOYSA-N |
| MDL Number | MFCD16618380 |
| Molecular Formula | C19H14ClN5O4 |
| Molecular Weight | 411.7986 |
| SMILES | O=C(N(C1=C2C=CC=N1)C3=CC([N+]([O-])=O)=CC=C3)N(C2=O)CC4=CC=NC=C4.Cl |
| Synonyms | RS 25344 HYDROCHLORIDE,
152815-28-6,
RS 25344 HCl,
SCHEMBL5250690,
ROSFKXDQMBPYQQ-UHFFFAOYSA-N,
AKOS024457545,
J-008953,
1-(3-Nitrophenyl)-3-(4-pyridinylmethyl)-pyrido[2,3-d]pyrimidine-2,3-(1H,3H)-dione hydrochloride,
1-(3-nitrophenyl)-3-(4-pyridylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione hydrochloride,
|
| Complexity | 618 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.802g/mol |
| Monoisotopic Mass | 411.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number