| CAS Number | 203395-81-7 |
| Catalog Number | AG00C3D9(AGN-PC-0QTQ9G) |
| Chemical Name | 7-[4-[4-(2-Chlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone |
| IUPAC Name | 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28) |
| InChI Key | YZWZYPOWFMWSAH-UHFFFAOYSA-N |
| MDL Number | MFCD31382414 |
| Molecular Formula | C23H28ClN3O2 |
| Molecular Weight | 413.9403 |
| SMILES | O=C1NC2=CC(OCCCCN3CCN(C=4C=CC=CC4Cl)CC3)=CC=C2CC1 |
| Synonyms | CHEMBL157923,
203395-81-7,
Deschloroaripiprazole,
Aripiprazole 3-Deschloro Impurity,
SCHEMBL13532795,
BDBM50395563,
A1-06443,
CID10549689,
7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.946g/mol |
| Monoisotopic Mass | 413.187g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number