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Substance Name: O-methylfagaronine
RN: 54785-54-5
InChIKey: STJJMCOJNXLYFW-UHFFFAOYSA-M

Note

  • Benzyl-phenanthridine from root of Fagara zanthoxyloides.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N-O4.Cl.3H2-O

Molecular Weight

  • 399.872
 
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Names and Synonyms

Name of Substance

  • O-methylfagaronine

Synonym

  • O-Methylfagaronine chloride trihydrate

Systematic Name

  • Benzo(c)phenanthridinium, 5-methyl-2,3,8,9-tetramethoxy-, chloride, trihydrate

Registry Numbers

CAS Registry Number

  • 54785-54-5

Related Registry Numbers

  • 136540-26-6 (iodide, hydrate)
  • 51116-33-7 (methyl sulfate)

System Generated Number

  • 0054785545

Molecular Formulas

Molecular Formula

  • C22-H22-N-O4.Cl.3H2-O

Molecular Formula Fragments

  • C22-H22-N-O4
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H22NO4.ClH/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23;/h6-12H,1-5H3;1H/q+1;/p-1

InChIKey

STJJMCOJNXLYFW-UHFFFAOYSA-M

Smiles

c1(c(cc2c[n+](C)c3c(c2c1)ccc1c3cc(c(c1)OC)OC)OC)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 465, 1991.