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CAS No.: | 6872-57-7 |
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Name: | NITIDINE |
Molecular Structure: | |
Formula: | C21H18NO4 |
Molecular Weight: | 348.378 |
Synonyms: | Nitidine(8CI);[1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl- (9CI); |
Melting Point: | 281-283℃ |
PSA: | 40.80000 |
LogP: | 3.71660 |
This chemical is called [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-, and its systematic name is 2,3-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium. With the molecular formula of C21H18NO4, its molecular weight is 348.37. The CAS registry number of the chemical is 6872-57-7. Additionally, its product category is Active Pharmaceutical Ingredients.
Other characteristics of [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl- can be summarised as followings: (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: O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)cc(OC)c(OC)c5
2.InChI: InChI=1/C21H18NO4/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/q+1
3.InChIKey: KKMPSGJPCCJYRV-UHFFFAOYAL
4.Std. InChI: InChI=1S/C21H18NO4/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/q+1
5.Std. InChIKey: KKMPSGJPCCJYRV-UHFFFAOYSA-N