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5096-57-1

Basic Information
CAS No.: 5096-57-1
Name: canadine
Article Data: 18
Molecular Structure:
Molecular Structure of 5096-57-1 (canadine)
Formula: C20H21 N O4
Molecular Weight: 339.391
Synonyms: 13aa-Berbine,9,10-dimethoxy-2,3-(methylenedioxy)- (8CI); 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy-, (S)-; Canadine (6CI,7CI); (-)-Canadine;(-)-Tetrahydroberberine; (-)-a-Canadine; (S)-(-)-7,8,13,13a-Tetrahydroberberine; (S)-(-)-Canadine;(S)-(-)-Tetrahydroberberine; (S)-Canadine;9,10-Dimethoxy-2,3-(methylenedioxy)-13aa-berbine; l-Canadine; a-Canadine
Density: 1.33g/cm3
Melting Point: 135°
Boiling Point: 476.1°Cat760mmHg
Flash Point: 141.1°C
Safety: Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 40.16000
LogP: 3.02590
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Chemistry

IUPAC Name: DL-Tetrahydroberberine  
Molecular Formula: C20H21NO4
Molecular Weight: 339.42
Freely Rotating Bonds: 2
Polar Surface Area: 40.16 Å2
Index of Refraction: 1.656
Molar Refractivity: 93.16 cm3
Molar Volume: 253.4 cm3
Polarizability: 36.93 ×10-24 cm3
Surface Tension: 59.6 dyne/cm
Density: 1.33 g/cm3
Flash Point: 141.1 °C
Enthalpy of Vaporization: 73.98 kJ/mol
Boiling Point: 476.1 °C at 760 mmHg
Vapour Pressure: 3.13E-09 mmHg at 25°C 
The Cas Register Number of  Tetrahydroberberine is 5096-57-1.The chemical synonyms of  Tetrahydroberberine(CAS NO.5096-57-1) are (13aS)-9,10-Dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline ; (13aS)-9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline ; 6H-1,3-Benzodioxolo[5,6-a]benzo[g]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)- ; 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)- and (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine .The molecular structure of  Tetrahydroberberine(CAS NO.5096-57-1) is.

Uses

 Tetrahydroberberine(CAS NO.5096-57-1) is used as organic intermediate.

Toxicity Data With Reference

1.    

orl-mus LD50:940 mg/kg

    MEIEDD    Merck Index. 10 (1983),239.
2.    

scu-mus LD50:790 mg/kg

    MEIEDD    Merck Index. 10 (1983),239.
3.    

ivn-mus LD50:100 mg/kg

    MEIEDD    Merck Index. 10 (1983),239.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III