| CAS Number | 1198408-78-4 |
| Catalog Number | AG008ZU7 |
| Chemical Name | LDN-211904 Oxalate |
| IUPAC Name | N-(2-chlorophenyl)-6-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide;oxalic acid |
| InChI | InChI=1S/C19H19ClN4O.C2H2O4/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13;3-1(4)2(5)6/h1-6,11-13,21H,7-10H2,(H,23,25);(H,3,4)(H,5,6) |
| InChI Key | ODBJGLKPAQMCJA-UHFFFAOYSA-N |
| MDL Number | MFCD28023573 |
| Molecular Formula | C21H21ClN4O5 |
| Molecular Weight | 444.8682 |
| SMILES | O=C(NC1=C(Cl)C=CC=C1)C2=CN=C(C=C3)N2C=C3C4CCNCC4.OC(C(O)=O)=O |
| Synonyms | LDN 211904,
LDN-211904,
LDN211904,
ldn-211904 oxalate,
1198408-78-4,
LDN-211904,
C21H21ClN4O5,
CHEMBL1077739,
AOB3960,
EX-A126,
SYN5195,
AS-16554,
FT-0768961,
N-(2-chlorophenyl)-6-(piperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide oxalate,
1198408-39-7,
|
| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.872g/mol |
| Monoisotopic Mass | 444.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number