| CAS Number | 3533-97-9 |
| Catalog Number | AG00C93D(AGN-PC-0LUO3I) |
| Chemical Name | Perphenazine Related Compound B |
| IUPAC Name | 2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethanol |
| InChI | InChI=1S/C21H27N3OS/c25-17-16-23-14-12-22(13-15-23)10-5-11-24-18-6-1-3-8-20(18)26-21-9-4-2-7-19(21)24/h1-4,6-9,25H,5,10-17H2 |
| InChI Key | RAUZVPIJXZDXLS-UHFFFAOYSA-N |
| MDL Number | MFCD00366635 |
| Molecular Formula | C21H27N3OS |
| Molecular Weight | 369.5236 |
| SMILES | OCCN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1 |
| UNII | 725URK91YR |
| Synonyms | Perphenazine related compound B,
UNII-725URK91YR,
3533-97-9,
725URK91YR,
Dechloro perphenazine,
2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethanol,
2-(4-(3-(10H-Phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol,
Phenazine (pharmaceutical),
CBDivE_006095,
2-[4-[3-(10H-Phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol,
Perphenazine related compound B [USP],
Perphenazine specified impurity B [EP],
Perphenazine related compound B RS [USP],
AC1O7MQV,
1-Piperazineethanol, 4-(3-(10H-phenothiazin-10-yl)propyl)-,
CID6611263,
1-Piperazineethanol, 4-(3-phenothiazin-10-ylpropyl)-,
1-Piperazineethanol, 4-[3-(10H-phenothiazin-10-yl)propyl]-,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.527g/mol |
| Monoisotopic Mass | 369.187g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number