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Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, hydrate (1:1:1) (171869-95-7)

Identification
Name:Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, hydrate (1:1:1)
Synonyms:Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, monohydrate (9CI);palmatine hydrochloride;
CAS:171869-95-7
Molecular Formula: C21H22ClNO4.H2O
Molecular Weight: 405.87
InChI: InChI=1/C21H22NO4.ClH.H2O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;/h5-6,9-12H,7-8H2,1-4H3;1H;1H2/q+1;;/p-1
Molecular Structure: (C21H22ClNO4.H2O) Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, monohydrate (9CI);palmatine ...
Properties
Transport:UN 2811
Melting Point: 206-207 ºC (dec.)
Flash Point: 113 ºC
Specification:

The systematic name of Palmatine chloride hydrate is 2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium chloride hydrate . With the CAS registry number  171869-95-7, it is also named as 2,3,9,10-Tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium chloride hydrate (1:1:1) ; Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, chloride, hydrate (1:1:1) . The product's categories are Building Blocks, Heterocyclic Building Blocks and Isoquinolines. It is soluble in hot water.

The Palmatine chloride hydrate is used as pharmaceutical intermediates. A protoberberine alkaloid that is isolated from medicinal herbs like Coptis chinensis Franch. Sedative effect of palmatine is related to its ability to inhibit dopamine generation. It also acts as a selective topoisomerase I and II position and as vasodilator that effectively reduces Ca2+ concentration.

The Palmatine chloride hydrate is harmful by inhalation and if swallowed. It is irritating to eyes and skin. Avoid contact with skin. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

The other characteristics of this product can be summarized as: (1) #H bond acceptors: 6; (2) #H bond donors: 2; (3) #Freely Rotating Bonds:  4; (4) Polar Surface Area:  50.03. People can use the following data to convert to the molecule structure. SMILES: [Cl-].O.O(c4cc3c2cc1ccc(OC)c(OC)c1c[n+]2CCc3cc4OC)C; InChI: InChI=1/C21H22NO4.ClH.H2O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;/h5-6,9-12H,7-8H2,1-4H3;1H;1H2/q+1;;/p-1.

Flash Point: 113 ºC
Safety Data
Hazard Symbols Xn: Harmful
 

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