| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 22 | Yes |
Popular Name: Benoxinate hydrochloride Benoxinate hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 5987-82-6 , 99-43-4 , [5987-82-6]
2-(4-amino-3-butoxy-benzoyl)oxyethyl-diethyl-ammonium chloride
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride
2-(diethylamino)ethyl 4-amino-3-n-butoxybenzoate
2-Diethylaminoethyl 4-amino-3-butoxybenzoate
2-[(4-amino-3-butoxyphenyl)-oxomethoxy]ethyl-diethylammonium chloride
3-Butoxy-4-aminobenzoic acid 2-(diethylamino)ethyl ester
3-Butoxy-4-aminobenzoic acid 2-diethylaminoethyl ester
4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid
4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl ester
4-Amino-3-butoxybenzoic acid 2-(diethylamino)ethyl ester
4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester
4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester
4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester [German]
5987-82-6 (mono-hydrochloride)
5987-82-6; Benoxil (TN); Benoxinate hydrochloride (USP); D01768; Oxybuprocaine hydrochloride (JP16)
5987-82-6; Benoxinate hydrochloride; Prestwick_896
99-43-4; D08319; Monofree oxybuprocaine (TN); Oxybuprocaine (INN)
Benoxil; Cebesine; Conjuncain; Lacrimin; Novesin; Novesina; Novesine
benoxinate HCl; benoxinate monohydrochloride; oxybuprocaine HCl; oxybuprocaine monohydrochloride
Benoxinate;Oxbarukain;Oxibuprocainum;Oxibuprokain;Oxybucaine;Oxyriprocaine
BENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER
Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester (7CI,8CI,9CI)
benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride
benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride
Butoxyaminobenzoyldiethylaminoethanol
diethylaminoethyl-4-amino-3-butoxybenzoate
INN); Oxybuprocaine Hydrochloride (JAN)
oxibuprocaina; oxybuprocaine; oxybuprocainum
Oxyriprocaine;Oxybucaine;Oxibuprokain;Oxibuprocainum;Oxbarukain;Benoxinate
| 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) | 3.80 | 8.64 | -36.76 | 3 | 5 | 1 | 66 | 309.43 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.44e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Therapy | anesthetic (local) | SMDC Pharmakon |
| Target | Others | Selleck Chemicals |
| Target | Sodium Channel | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-2-E | Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.35 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.35 | Binding ≤ 10μM |
| SCN3A-2-E | Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.35 | Binding ≤ 10μM |
| SCN8A-2-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 2900 | 0.35 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 2900 | 0.35 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 2900 | 0.35 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 2900 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
No pre-computed analogs available. Try a structural similarity search.