| CAS Number | 362665-57-4 |
| Catalog Number | AG00C6HB(AGN-PC-0WNHFG) |
| Chemical Name | Pitolisant oxalate |
| IUPAC Name | 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;oxalic acid |
| InChI | InChI=1S/C17H26ClNO.C2H2O4/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;3-1(4)2(5)6/h7-10H,1-6,11-15H2;(H,3,4)(H,5,6) |
| InChI Key | OZTKSXOIWBLDBB-UHFFFAOYSA-N |
| MDL Number | MFCD26142918 |
| Molecular Formula | C19H28ClNO5 |
| Molecular Weight | 385.8823 |
| SMILES | OC(=O)C(=O)O.Clc1ccc(cc1)CCCOCCCN1CCCCC1 |
| Synonyms | Pitolisant oxalate,
Pitolisant (oxalate),
362665-57-4,
Tiprolisant oxalate,
SCHEMBL4592979,
BCP13111,
HY-12199A,
AKOS030526793,
CS-1442,
W-6125,
A15214,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.885g/mol |
| Monoisotopic Mass | 385.166g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number