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| CAS No.: | 34316-15-9 |
|---|---|
| Name: | Chelerythrine Chloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C21H18NO4 |
| Molecular Weight: | 348.378 |
| Synonyms: | Chelerythrine(6CI);[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-(9CI);Toddalin; |
| EINECS: | 251-930-0 |
| Density: | 1.2985 (rough estimate) |
| Melting Point: | 195-205oC |
| Boiling Point: | 496.37°C (rough estimate) |
| Hazard Symbols: | R20/21/22:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| Safety: | 36/37 |
| PSA: | 40.80000 |
| LogP: | 0.72060 |
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Specification
The Chelerythrine Chloride chloride, with the CAS registry number34316-15-9 , is also known as 1,2-Dimethoxy-N-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride. It belongs to the product category of Natural Plant Extract. Its EINECS registry number is 251-930-0. This chemical's molecular formula is C21H18ClNO4 and molecular weight is 383.83. What's more, both its IUPAC name and systematic name are the same which is called 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium. Classification Codes of Chelerythrine Chloride chloride are Anti-Bacterial Agents; Anti-Infective Agents and Antineoplastic Agents. In addition, it is yellow powder.
Physical properties about Chelerythrine Chloride chloride are: (1) #H bond acceptors: 5; (2) #H bond donors: 0; (3) #Freely Rotating Bonds: 2; (4) Polar Surface Area: 40.8 Å2; (5) Melting Point: 195-205 °C.
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical may cause damage to health. Therefore, you should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1) SMILES: O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5
(2) InChI: InChI=1/C21H18NO4/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/q+1
(3) InChIKey: LLEJIEBFSOEYIV-UHFFFAOYAP