| CAS Number | 1263278-77-8 |
| Catalog Number | AG009GCU |
| Chemical Name | 2-[3-[4-(4-Chlorophenyl)-1-piperazinyl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one Hydrochloride |
| IUPAC Name | 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride |
| InChI | InChI=1S/C19H22ClN5O.ClH/c20-16-5-7-17(8-6-16)23-14-12-22(13-15-23)9-3-11-25-19(26)24-10-2-1-4-18(24)21-25;/h1-2,4-8,10H,3,9,11-15H2;1H |
| InChI Key | YJPDFSADWATFEK-UHFFFAOYSA-N |
| MDL Number | MFCD27966169 |
| Molecular Formula | C19H23Cl2N5O |
| Molecular Weight | 408.3248 |
| SMILES | O=C1N(C=CC=C2)C2=NN1CCCN3CCN(C4=CC=C(Cl)C=C4)CC3.Cl |
| UNII | AXD9D9J5OR |
| Synonyms | UNII-AXD9D9J5OR,
AXD9D9J5OR,
Trazodone related compound C,
Trazodone related compound C [USP],
4-Chloro trazodone isomer hydrochloride,
Trazodone related compound C RS [USP],
1263278-77-8,
1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(4-chlorophenyl)-1-piperazinyl)propyl)-, hydrochloride (1:1),
2-(3-(4-(4-Chlorophenyl)piperazin-1-yl)propyl)-(1,2,4)triazolo(4,3-a)pyridin-3(2H)-one hydrochloride,
|
| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.327g/mol |
| Monoisotopic Mass | 407.128g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number