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Basic Information
CAS No.: 2141-09-5
Name: (+)-MAGNOFLORINE IODIDE
Molecular Structure:
Molecular Structure of 2141-09-5 ((+)-MAGNOFLORINE IODIDE)
Formula: C20H24NO4
Molecular Weight: 469.31
Synonyms: 4H-Dibenzo[de,g]quinolinium,5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-;6aa-Aporphinium,1,11-dihydroxy-2,10-dimethoxy-6-methyl- (8CI);(+)-Magnoflorine;Escholin;Escholine;Thalictrin;Thalictrine;a-Magnoflorine;
Density: g/cm3
Melting Point: 252oC
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 58.92000
LogP: 2.97050
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Chemistry

Product Name: Magnoflorine
Molecular Structure of Magnoflorine (CAS NO.2141-09-5):

Molecular Formula: C20H24NO4
Molecular Weight: 342.4083
Synonyms of Magnoflorine (CAS NO.2141-09-5): ( )-Magnoflorine ; 6a-alpha-Aporphinium, 1,11-dihydroxy-2,10-dimethoxy-6-methyl- ; Escholin ; Escholine ; Thalictrin ; Thalictrine ; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-,(6aS)-
CAS NO: 2141-09-5
Classification Code: Natural Product 
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area of Magnoflorine (CAS NO.2141-09-5): 36.92 Å2 
SMILES: Oc2c4c1c(O)c(OC)ccc1C[C@H]3c4c(cc2OC)CC[N+]3(C)C 
InChI: InChI=1/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 
InChIKey: YLRXAIKMLINXQY-VVNSCHGPBP
Std. InChI: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 
Std. InChIKey: YLRXAIKMLINXQY-ZDUSSCGKSA-O

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19600ug/kg (19.6mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 intravenous 20mg/kg (20mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 subcutaneous 138mg/kg (138mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.