| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 28 | Yes |
Popular Name: Treprostinil Treprostinil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 289480-64-4 , 81846-19-7 , [289480-64-4]
289480-64-4; D08628; Remodulin (TN); Treprostinil monosodium salt; Treprostinil sodium
81846-19-7; D06213; Remodulin (TN); Treprostinil (JAN/USAN/INN)
treprostinil; treprostinilo; treprostinilum
Tresprostinil (FDA); Treprostinil (INN
USAN); Treprostinil Diolamine (USAN)
USAN); Treprostinil Sodium (FDA); Treprostinil Diolamine (USAN)
| 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) | 4.31 | -3.15 | -50.53 | 2 | 5 | -1 | 89 | 389.512 | 10 | ↓ |
| Hi High (pH 8-9.5) | -4.82 | -3.53 | -39.3 | 5 | 8 | 1 | 122 | 272.281 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.31e-03 g/l | DrugBank-approved |
| Patent Database Links | EP1862181; US2005085540; US2008249167; WO2007089745; WO2007098390; WO2007100902; WO2007118602; WO2007127216; WO2007134292; WO2008157240 | ChEBI |
