- Oxybuprocaine
- Oxybuprocaine hydrochloride
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| Name |
Oxybuprocaine |
EINECS | N/A |
| CAS No. | 99-43-4 | Density | 1.052g/cm3 |
| PSA | 64.79000 | LogP | 3.52750 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H28N2O3 | Boiling Point | 446.9 oCat760mmHg |
| Molecular Weight | 308.421 | Flash Point | 224.1 oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Diethylaminoethyl4-amino-3-butoxybenzoate;3-Butoxy-4-aminobenzoic acid 2-diethylaminoethyl ester;4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester;Benoxinate;Conjucain;Dorsacain;Novesinol;Oxybucaine;Oxybuprocaine;Prescaina; |
Oxybuprocaine Specification
The Oxybuprocaine with the cas number 99-43-4, is also called 4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid. The IUPAC name is 2-diethylaminoethyl 4-amino-3-butoxybenzoate. This chemical belongs the following classification code: (1)Anesthetics ; (2)Anesthetics, local ; (3)Central Nervous System Agents ; (4)Central Nervous System Depressants ; (5)Drug / Therapeutic Agent ; (6)Peripheral Nervous System Agents ; (7)Sensory System Agents.
Properties Computed from Structure: (1)XLogP3-AA: 3.1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 11; (5)Tautomer Count: 3; (6)Exact Mass: 308.209993; (7)MonoIsotopic Mass: 308.209993; (8)Topological Polar Surface Area: 64.8; (9)Heavy Atom Count:22; (10)Formal Charge: 0; (11)Complexity: 308; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(cc(c(N)cc1)OCCCC)C(OCCN(CC)CC)=O
(2)InChI: InChI=1/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 37mg/kg (37mg/kg) | Anesthesia and Analgesia Vol. 38, Pg. 265, 1959. | |
| mouse | LD50 | intravenous | 7800ug/kg (7.8mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 612, 1953. | |
| mouse | LD50 | subcutaneous | 75mg/kg (75mg/kg) | Anesthesia and Analgesia Vol. 38, Pg. 265, 1959. | |
| quail | LD50 | oral | 100mg/kg (100mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. |
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