| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 26 | No |
Popular Name: Tiotropium Tiotropium
Find On: PubMed — Wikipedia — Google
CAS Numbers: 136310-93-5 , 139404-48-1 , 186691-13-4 , 411207-31-3
411207-31-3; D01929; Spiriva (TN); Tiotropium bromide hydrate (JAN); Tiotropium bromide monohydrate
| 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) | -1.94 | 8.58 | -44.92 | 1 | 5 | 1 | 59 | 392.522 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.94 | 9.19 | -69.28 | 0 | 5 | 0 | 62 | 391.514 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.56e-02 g/l | DrugBank-approved |
| PUBCHEM_PATENT_ID | EP0673240B1; EP0853501A1; EP0904266A1; EP1003540A1; EP1019360A1; EP1024794A1; EP1053009A2; EP1058657A1; US5676930; US5795909; US5824669; US5955058; US5964416; US6045778; WO1994013262A1; WO1997034871A1; WO1997044063A2; WO1998027959A2; WO1998056444A1; WO199 | IBM Patent Data |
