CAS No.3486-67-7,Palmatine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3486-67-7
Name:	Palmatine
Article Data:	10

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 C₂₁H₂₂NO₄and 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.