- Nitidine chloride
- Nitidine chloride
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Cas Database |
| Name |
Nitidine chloride |
EINECS | 300-009-4 |
| CAS No. | 13063-04-2 | Density | 1.35g/cm3 |
| PSA | 40.80000 | LogP | 3.71660 |
| Solubility | N/A | Melting Point |
281-282oC |
| Formula | C21H18ClNO4 | Boiling Point | 619oC at 760 mmHg |
| Molecular Weight | 383.831 | Flash Point | 189.4oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium chloride;Nitidine, chloride (8CI); |
Article Data | 18 |
Nitidine chloride Specification
The Nitidine chloride, with the CAS registry number of 13063-04-2, is also known as 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium. This chemical's molecular formula is C21H18ClNO4 and molecular weight is 406.39. What's more, its IUPAC name is 2,3-Dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium. This chemical's classification code is Mutation data.
Physical properties about the Nitidine chloride are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 40.8 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES:[Cl-].O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)cc(OC)c(OC)c5
(2) InChI:InChI=1/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
(3) InChIKey:QLDAACVSUMUMOR-REWHXWOFAP
The toxicity data is as follows:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source mouse LD50 intraperitoneal 98980ug/kg (98.98mg/kg) National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
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