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6872-57-7

Basic Information
CAS No.: 6872-57-7
Name: NITIDINE
Molecular Structure:
Molecular Structure of 6872-57-7 (NITIDINE)
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
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  • [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-

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    [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-

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    6872-57-7

    Nitidine chloride 6872-57-7

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    NITIDINE

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  • 2,3-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

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    6872-57-7

    2,3-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

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    Nitidine chloride Application:836390

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Specification

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