| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 23 | Yes |
Popular Name: Datscan Datscan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 155797-99-2 , 155798-07-5
123I-FP-CIT; 123I-Ioflupane; ioflupane ((123)I)
155798-07-5; D10014; Datscan (TN); Ioflupane I 123 (USAN)
8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLICACID,8- -3- -,METHYLESTER -
INN); Ioflupane I-123 (FDA); Ioflupane I 123 (USAN)
ioflupane (123I); ioflupano (123I); ioflupanum (123I)
Methyl 8-(3-fluoropropyl)-3β-(p-iodo-I(sup 123)-phenyl)-1αH, 5αH-nortropane-2β-carboxylate.
| 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) | 4.80 | 2.55 | -36.94 | 1 | 3 | 1 | 30 | 432.297 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.66e-03 g/l | DrugBank-approved |
