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| Name |
Isothebaine hydrochloride |
EINECS | N/A |
| CAS No. | 25650-97-9 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H21 N O3 . Cl H | Boiling Point | 489.2°Cat760mmHg |
| Molecular Weight | 347.87 | Flash Point | 249.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Isothebaine hydrochloride Chemical Properties
Product Name: Isothebaine hydrochloride
CAS Registry Number: 25650-97-9
Molecular Weight: 347.83588 [g/mol]
Molecular Formula: C19H22ClNO3
H-Bond Donor: 2
H-Bond Acceptor: 4
Canonical SMILES: C[NH+]1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC.[Cl-]
Isomeric SMILES: C[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC.[Cl-]
InChI: InChI=1S/C19H21NO3.ClH/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18;/h4-6,10,13,21H,7-9H2,1-3H3;1H/t13-;/m0./s1
InChIKey: QAYYSHAZDXVKBZ-ZOWNYOTGSA-N
Flash Point: 249.6 °C
Enthalpy of Vaporization: 78.42 kJ/mol
Boiling Point: 489.2 °C at 760 mmHg
Vapour Pressure: 3.41E-10 mmHg at 25°C
Following is the molecular structure of Isothebaine hydrochloride (CAS NO.25650-97-9) is:
Isothebaine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 26mg/kg (26mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acta Universitatis Palackianae Olomucensis, Facultatis Medicae. Vol. 66, Pg. 169, 1973 |
Isothebaine hydrochloride Safety Profile
A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and HCl.
Isothebaine hydrochloride Specification
Isothebaine hydrochloride , its cas register number is 25650-97-9. It also can be called 2,11-Dimethoxy-6a-alpha-aporphin-1-ol hydrochloride ; 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, HCl, (S)- ; 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride .
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