| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 27 | Yes |
Popular Name: Remifentanil Remifentanil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 132539-07-2 , 132875-61-7
1-Piperidinepropanoic acid, 4-(methoxy-carbonyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
132539-07-2 (mono-hydrochloride)
132539-07-2; D01177; Remifentanil hydrochloride (JAN/USAN); Ultiva (TN)
132875-61-7; C08021; Remifentanil
132875-61-7; D08473; Remifentanil (INN); Ultiva (TN)
3-(4-methoxycarbonyl-4-((1-oxopropyl)phenylamino)-1-piperidine)propanoic acid methyl ester
4-carboxy-4-(n-phenylpropionamido)-1-piperidinepropionic acid dimethyl ester
INN); Remifentanil Hydrochloride (FDA
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-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) | 1.75 | 4.51 | -49.02 | 1 | 7 | 1 | 77 | 377.461 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.91e-01 g/l | DrugBank-approved |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 4 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 3.55 | 0.44 | Functional ≤ 10μM |
