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Substance Name: Sanguiritrine
RN: 39404-28-9
InChIKey: NKGAIPNGEDKIBY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-N-O4.C20-H14-N-O4.H-O4-S.H-O4-S

Molecular Weight

  • 873.842
 
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Names and Synonyms

Name of Substance

  • Sanguiritrine

Synonyms

  • Sanguiritrin
  • Sanguiritrine
  • Sanguirythrine

Systematic Name

  • (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-, sulfate (1:1), mixt. with 1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 39404-28-9

System Generated Number

  • 0039404289

Molecular Formulas

Molecular Formula

  • C21-H18-N-O4.C20-H14-N-O4.H-O4-S.H-O4-S

Molecular Formula Fragments

  • C20-H14-N-O4
  • C21-H18-N-O4
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C21H17NO4.C20H14NO4.2H2O4S/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;2*1-5(2,3)4/h4-11H,1-3H3;2-8H,9-10H2,1H3;2*(H2,1,2,3,4)/q2*+1;;/p-2

InChIKey

NKGAIPNGEDKIBY-UHFFFAOYSA-L

Smiles

C1=Oc2cc3c(ccc4c3[n+](cc3c4ccc(c3OC)OC)C)cc2O1.O1c2c(OC1)c1c[n+](c3c4cc5c(OCO5)cc4ccc3c1cc2)C.S(=O)([O-])(O)=O.S(=O)([O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14200ug/kg (14.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 925, 1982.
mouse LD50 oral 470mg/kg (470mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 925, 1982.
rat LD50 intraperitoneal 12mg/kg (12mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 925, 1982.
rat LD50 oral 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 925, 1982.