| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 22 | Yes |
Popular Name: Palonosetron Palonosetron
Find On: PubMed — Wikipedia — Google
CAS Number: 135729-62-3
(3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
(S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one
1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R*,R*))-
2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.12 | 9.42 | -35.97 | 1 | 3 | 1 | 25 | 297.422 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.64e-01 g/l | DrugBank-approved |
| PUBCHEM_PATENT_ID | EP1003540A1; EP1019360A1; EP1027011A1; US5922341; US6037360; WO1999021508A1; WO1999064046A1; WO1999066944A1; WO2000076500A2 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5202333; US5567818 | IBM Patent Data |
