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| Name |
Sympocaine hydrochloride |
EINECS | N/A |
| CAS No. | 15016-15-6 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H28 N2 O3 . x Cl H | Boiling Point | 446.9°Cat760mmHg |
| Molecular Weight | 344.93 | Flash Point | 224.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous and intravenous routes. Used as a local anesthetic. When heated to decomposition it emits toxic fumes of NOx and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (7CI,8CI) |
Sympocaine hydrochloride Chemical Properties
Molecule structure of Sympocaine hydrochloride (CAS NO.15016-15-6) :
IUPAC Name: 2-(4-amino-2-butoxybenzoyl)oxyethyl-diethylazanium chloride
Molecular Weight: 344.87676 g/mol
Molecular Formula: C17H29ClN2O3
Boiling Point: 446.9 °C at 760 mmHg
Flash Point: 224.1 °C
Enthalpy of Vaporization: 70.51 kJ/mol
Vapour Pressure: 3.51E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 11
Tautomer Count: 2
Exact Mass: 344.186671
MonoIsotopic Mass: 344.186671
Topological Polar Surface Area: 66
Heavy Atom Count: 23
Complexity: 308
Canonical SMILES: CCCCOC1=C(C=CC(=C1)N)C(=O)OCC[NH+](CC)CC.[Cl-]
InChI: InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(18)8-9-15(16)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
InChIKey of Sympocaine hydrochloride (CAS NO.15016-15-6) : DCZJQMPBINFCEC-UHFFFAOYSA-N
Sympocaine hydrochloride Toxicity Data With Reference
| 1. | scu-mus LD50:100 mg/kg | APFRAD Annales Pharmaceutiques Francaises. 40 (1982),133. | ||
| 2. | ivn-mus LD50:4019 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 104 (1952),40. |
Sympocaine hydrochloride Safety Profile
Poison by subcutaneous and intravenous routes. Used as a local anesthetic. When heated to decomposition it emits toxic fumes of NOx and HCl.
Sympocaine hydrochloride Specification
Sympocaine hydrochloride (CAS NO.15016-15-6) is also called 4-Amino-2-butoxy-benzoic acid 2-(diethylamino)ethyl ester hydrochloride ; Benzoic acid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride ; Benzoic acid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride .
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