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3895-92-9

Basic Information
CAS No.: 3895-92-9
Name: CHELERYTHRINE CHLORIDE
Article Data: 10
Molecular Structure:
Molecular Structure of 3895-92-9 (CHELERYTHRINE CHLORIDE)
Formula: C21H18NO4.Cl
Molecular Weight: 383.831
Synonyms: Chelerythrine,chloride (6CI,7CI,8CI);NSC 646662;
EINECS: 223-444-9
Density: 1.36g/cm3
Melting Point: 195-205 °C
Boiling Point: 711.4oC at 760 mmHg
Flash Point: 219.3oC
Appearance: yellow to orange solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36-36/37
PSA: 40.80000
LogP: 0.72060
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    Chelerythrine Chloride

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    3895-92-9

    CHELERYTHRINE CHLORIDE

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    Product Name: CHELERYTHRINE CHLORIDE Synonyms: TODDALIN;TODDALIN CHLORIDE;3)benzodioxolo(5,6-c)phenanthridinium,1,2-dimethoxy-12-methyl-(chloride;chelerythrinehydrochloride;1,2-DIMETHOXY-12,[1,3]-BE

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Chemistry

The Molecular Structure of  (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI) (CAS NO.3895-92-9):

Empirical Formula: C21H18ClNO4
Molecular Weight: 383.8249
Nominal Mass: 383 Da
Average Mass: 383.8249 Da
Monoisotopic Mass: 383.092436 Da 
Melting Point: 195-205 °C
Storage temp: −20°C
Solubility DMSO: ≥10 mg/mL
Appearance: yellow to orange solid
InChI
InChI=1/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1 
Smiles
c1cc2c(c3[n+](cc4c(c(ccc4c13)OC)OC)C)cc1c(OCO1)c2.[ClH-]
IUPAC: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride 
Product Categories: Alkaloids;Protein Kinase 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18500ug/kg (18.5mg/kg)   Planta Medica. Vol. 43, Pg. 161, 1981.
Link to PubMed
mouse LD50 subcutaneous 95mg/kg (95mg/kg)   Planta Medica. Vol. 43, Pg. 161, 1981.
Link to PubMed

Safety Profile

Hazard Codes:IrritantXnIrritantXi
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S36/37:Wear suitable protective clothing and gloves
WGK Germany: 3
RTECS: FL9200000

Specification

 (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI) (CAS NO.3895-92-9) is also called as Chelerythrine hydrochloride ; Chelerythrine HCl ; Chelerythrine hydrochloride ; EINECS 223-444-9 ; NSC 36405 ; 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride ; Chelerythrine, chloride ; Chelerythrine, hydroxide, hydrochloride (8CI) .