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10605-02-4 molecular structure
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3,4,10,11-tetramethoxy-7,8-dihydro-6$l^{5}-azatetraphen-6-ylium chloride

ChemBase ID: 73017
Molecular Formular: C21H22ClNO4
Molecular Mass: 387.85668
Monoisotopic Mass: 387.12373587
SMILES and InChIs

SMILES:
c1c(c(c2c(c1)cc1[n+](c2)CCc2c1cc(c(c2)OC)OC)OC)OC.[Cl-]
Canonical SMILES:
COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC.[Cl-]
InChI:
InChI=1S/C21H22NO4.ClH/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/q+1;/p-1
InChIKey:
RLQYRXCUPVKSAW-UHFFFAOYSA-M

Cite this record

CBID:73017 http://www.chembase.cn/molecule-73017.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,10,11-tetramethoxy-7,8-dihydro-6$l^{5}-azatetraphen-6-ylium chloride
3,4,10,11-tetramethoxy-7,8-dihydro-6λ5-azatetraphen-6-ylium chloride
IUPAC Traditional name
palmatine chloride
Synonyms
Palmatine hydrochloride
Palmatine chloride
2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chloride
CAS Number
10605-02-4
PubChem SID
162037937
PubChem CID
73442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 73442 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2218883  LogD (pH = 7.4) -1.2218883 
Log P -1.2218883  Molar Refractivity 100.6828 cm3
Polarizability 41.039276 Å3 Polar Surface Area 40.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
Salt Data
chloride expand Show data source
Cl- expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals
Selleck Chemicals - S2397 external link
Research Area: Neurological Disease
Biological Activity:
Palmatine hydrochloride (Palmatine chloride (6CI,7CI)) is a hydrochloride salt of palmatine which is a protoberberine alkaloid. Palmatine hydrochloride (Palmatine chloride (6CI,7CI)) has been used in the treatment of jaundice, dysentery, hypertension, inflammation, and liver-related diseases. [1] Palmatine inhibited carbachol-induced Ca2+-activated Cl− secretion and the carbachol-induced increase of intracellular Ca2+ concentration. Palmatine also inhibited cAMP-activated Cl− secretion induced by prostaglandin E2 (PGE2) or forskolin. Palmatine prevented the elevation of intracellular cAMP by forskolin. Determination of apical Cl− currents showed that palmatine suppressed the forskolin-stimulated, apical cAMP-activated Cl− current but not the carbachol-stimulated apical Ca2+-activated Cl− current. [2]

REFERENCES

REFERENCES

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  • • Wu DZ et al. Br J Pharmacol. 2008 Mar;153(6):1203-13.
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PATENTS

PATENTS

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