| CAS Number | 117811-20-8 |
| Catalog Number | AG008VWL(AGN-PC-0PB1ER) |
| Chemical Name | Dehydro Desloratadine |
| IUPAC Name | 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene |
| InChI | InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-6,9,12,21H,7-8,10-11H2 |
| InChI Key | DSDQPELJDBELOW-UHFFFAOYSA-N |
| MDL Number | MFCD32663202 |
| Molecular Formula | C19H17ClN2 |
| Molecular Weight | 308.8047 |
| SMILES | ClC=1C=CC2=C(C=CC=3C(=NC=CC3)C2=C2CCNCC2)C1 |
| Synonyms | 117811-20-8,
DSDQPELJDBELOW-UHFFFAOYSA-N,
Dehydro Desloratadine,
SCHEMBL4938290,
8-CHLORO-11-(4-PIPERIDYLIDENE)-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE,
8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.809g/mol |
| Monoisotopic Mass | 308.108g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number