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Substance Name: 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-
RN: 53493-61-1
InChIKey: YTFKDKVVIUGRQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O6

Molecular Weight

  • 332.31
 
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Names and Synonyms

Synonym

  • N-(4,5-Dimethoxy-2-nitrophenyl)-1,3-benzodioxole-5-methanamine

Systematic Name

  • 1,3-Benzodioxole-5-methanamine, N-(4,5-dimethoxy-2-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 53493-61-1

System Generated Number

  • 0053493611

Structure Descriptors

InChI

1S/C16H16N2O6/c1-21-14-6-11(12(18(19)20)7-15(14)22-2)17-8-10-3-4-13-16(5-10)24-9-23-13/h3-7,17H,8-9H2,1-2H3

InChIKey

YTFKDKVVIUGRQN-UHFFFAOYSA-N

Smiles

c1([N+]([O-])=O)cc(OC)c(cc1NCc1cc2OCOc2cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Indian Journal of Chemistry. Vol. 12, Pg. 124, 1974.
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4397864,