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| CAS No.: | 3486-67-7 |
|---|---|
| Name: | Palmatine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C21H22NO4 |
| Molecular Weight: | 352.41 |
| Synonyms: | Berbinium,7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy- (8CI);Palmatine (7CI);Berbericinine;Depiline;O,O-Dimethyldemethyleneberberine; |
| Melting Point: | 205 °C |
| PSA: | 40.80000 |
| LogP: | 3.38480 |
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Specification
The CAS register number of Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy- is 3486-67-7. It also can be called as Palmatine and the IUPAC name about this chemical is 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium. The molecular formula about this chemical is C21H22NO4 and the molecular weight is 352.40. It belongs to the following product categories, such as Miscellaneous Natural Products; Alkaloids; Natural Plant Extract and so on. This chemical is an alkaloid found in several plants including Phellodendron amurense, Rhizoma coptidis and Corydalis yanhusuo.
Physical properties about Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy- are: (1)ACD/LogP: -1.12; (2)ACD/LogD (pH 5.5): -1.12; (3)ACD/LogD (pH 7.4): -1.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.88; (7)ACD/KOC (pH 7.4): 5.88; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 40.8Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c4cc3c2cc1ccc(OC)c(OC)c1c[n+]2CCc3cc4OC)C
(2)InChI: InChI=1/C21H22NO4/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/q+1
(3)InChIKey: QUCQEUCGKKTEBI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C21H22NO4/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/q+1
(5)Std. InChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 135mg/kg (135mg/kg) | Russian Pharmacology and Toxicology Vol. 31, Pg. 129, 1968. |