| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 24 | Yes |
Popular Name: OXELAIDIN CITRATE OXELAIDIN CITRATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 468-61-1 , 52432-72-1 , 52432-72-1, 468-61-1 (base)
2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate
2-Ethyl-2-phenyl-butyric acid 2-(2-diethylamino-ethoxy)-ethyl ester
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
468-61-1; D08310; Oxeladin (INN)
52432-72-1; D01576; Oxeladin citrate (JAN)
INN); Oxeladin Citrate (JAN); Oxeladin Tannate (JAN)
| 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) | 4.18 | 11.68 | -35.93 | 1 | 4 | 1 | 40 | 336.496 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antitussive | ZereneX Building Blocks |
| Molecular_Solubility | 4.834 | Bitter DB |
| ALOGPS_SOLUBILITY | 1.58e-02 g/l | DrugBank-withdrawn |
| mp | 146 - 149 | MolMall (formerly Molecular Diversity Preservation International) |
| biological_use | Antitussive | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.