Product Name

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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