| CAS Number | 1431697-86-7 |
| Catalog Number | AG009C94(AGN-PC-0WNHEW) |
| Chemical Name | AT 7867 dihydrochloride |
| IUPAC Name | 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine;dihydrochloride |
| InChI | InChI=1S/C20H20ClN3.2ClH/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16;;/h1-8,13-14,22H,9-12H2,(H,23,24);2*1H |
| InChI Key | ICUAUJBVBVIUAE-UHFFFAOYSA-N |
| MDL Number | MFCD25372026 |
| Molecular Formula | C20H22Cl3N3 |
| Molecular Weight | 410.7678 |
| SMILES | ClC1C=CC(C2(C3C=CC(C4C=NNC=4)=CC=3)CCNCC2)=CC=1.[H]Cl.[H]Cl |
| Synonyms | AT7867 (dihydrochloride),
AT7867 dihydrochloride,
1431697-86-7,
AT 7867 dihydrochloride,
HY-12059A,
AKOS030526526,
CS-1197,
A15006,
W-6042,
AT-7867 dihydrochloride;AT 7867 dihydrochloride,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.767g/mol |
| Monoisotopic Mass | 409.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number