Molecular Structure of Anthallan hydrochloride (CAS NO. 5968-79-6):
IUPAC Name: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-2-benzofuran-1-one hydrochloride
Empirical Formula: C17H26ClNO5
Molecular Weight: 359.845
Flash Point: 255.2 °C
Enthalpy of Vaporization: 79.56 kJ/mol
Boiling Point: 498.4 °C at 760 mmHg
Vapour Pressure: 1.48E-10 mmHg at 25°C
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 11
Polar Surface Area: 57.23 Å2
Classification Code: Drug / Therapeutic Agent
1. | ipr-mus LD50:300 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),433. | ||
2. | scu-mus LD50:1080 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),433. | ||
3. | ivn-mus LD50:80 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),433. |
Poison by intravenous and intraperitoneal routes. Moderately toxic by other routes. When heated to decomposition it emits toxic fumes of HCl and NOx.
Anthallan hydrochloride , its CAS number is 5968-79-6, it can be called Phthalide, 3-((dibutylamino)methyl)-4,5,6-trihydroxy-, hydrochloride ; 3-((Dibutylamino)methyl)-4,5,6-trihydroxyphthalide hydrochloride and 1(3H)-Isobenzofuranone, 3-((dibutylamino)methyl)-4,5,6-trihydroxy-, hydrochloride (9CI) .
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