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Product Name: D(+)-Bupivacaine (CAS NO.27262-45-9)
Molecular Formula: C18H28N2O
Molecular Weight: 288.43g/mol
Mol File: 27262-45-9.mol
Boiling point: 423.4 °C at 760 mmHg
Flash Point: 209.9 °C
Density: 1.032 g/cm3
Surface Tension: 41.5 dyne/cm
Enthalpy of Vaporization: 67.78 kJ/mol
Vapour Pressure: 2.24E-07 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of D(+)-Bupivacaine (CAS NO.27262-45-9):
IUPAC Name: (2R)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Canonical SMILES: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C
Isomeric SMILES: CCCCN1CCCC[C@@H]1C(=O)NC2=C(C=CC=C2C)C
InChI: InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKey: LEBVLXFERQHONN-MRXNPFEDSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 7900ug/kg (7.9mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 31, Pg. 273, 1972. | |
mouse | LD50 | subcutaneous | 30mg/kg (30mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 31, Pg. 273, 1972. | |
rabbit | LD50 | intratracheal | 10mg/kg (10mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 78, 1976. | |
rabbit | LD50 | parenteral | > 120mg/kg (120mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 78, 1976. | |
rabbit | LDLo | intravenous | 5500ug/kg (5.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 31, Pg. 273, 1972. |
rat | LD50 | intravenous | 3800ug/kg (3.8mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 31, Pg. 273, 1972. | |
rat | LD50 | subcutaneous | 38mg/kg (38mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 31, Pg. 273, 1972. |
Poison by subcutaneous, intratracheal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See other bupicaine or bupivacaine entries.
D(+)-Bupivacaine ,its CAS NO. is 27262-45-9,the synonyms is 2',6'-Pipecoloxylidide, 1-butyl-, D-(+)- .