| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 25 | Yes |
Popular Name: Dibucaine hydrochloride Dibucaine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61-12-1 , 61-12-1, 85-79-0 [dibucai , 61-12-1, 85-79-0 [dibucaine] , 85-79-0 , [61-12-1] , [85-79-0]
.alpha.-Butyloxycinchoninic acid diethylethylenediamide
2-Butoxy-N-(.beta.-diethylaminoethyl)cinchoninamide
2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide
2-Butoxy-N-(2-diethylaminoethyl)-4-quinolinecarboxamide hydrochloride
2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide
2-butoxy-N-(alpha-diethylaminoethyl)cinchoninamide
2-Butoxy-N-(beta-diethylaminoethyl)cinchoninamide
2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide
2-Butoxy-N-[2-(diethylamino)ethyl]cinchoninamide
2-Butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
2-Butoxy-quinoline-4-carboxylic acid (2-diethylamino-ethyl)-amide
2-Butoxyquinoline-4-carboxylic acid diethylaminoethylamide
2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide
4-22-00-02284 (Beilstein Handbook Reference)
4-Quinolinecarboxamide, 2-butoxy-N-(2-(diethylamino)ethyl)-
4-Quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-
61-12-1; D02220; Dibucaine hydrochloride (JP16/USP); Nupercaine hydrochloride (TN); Percamin (TN)
85-79-0; Dibucaine; Prestwick_164
alpha-Butyloxycinchonic acid-gamma-diethylethylenediamine
alpha-Butyloxycinchoninic acid diethylethylenediamide
cinchocaine; cinchocainum; cincocainio
Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-
Cinchoninamide, 2-butoxy-N-[2-(diethylamino)ethyl]-
INN); Dibucaine (USP); Cinchocaine HCl (BAN); Dibucaine HCl (FDA
INN); Dibucaine (USP); Dibucaine Hydrochloride (FDA
N-(2-(Diethylamino)ethyl)-2-butoxycinchoninamide
N-[2-(Diethylamino)ethyl]-2-butoxycinchoninamide
QUINOLINE,2-BUTOXY,4-CARBOXY,(N-TRIETHYLAMINO) AMIDE CINCHOCAIN
| 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) | 3.99 | 7.72 | -43.2 | 2 | 5 | 1 | 56 | 344.479 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.89e-02 g/l | DrugBank-approved |
| Therapy | anesthetic (local) | SMDC Iconix |
| Target | Sodium Channel | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.33 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.33 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.33 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 1400 | 0.33 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 1400 | 0.33 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 1400 | 0.33 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 1400 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
