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Substance Name: IA-3 N-Oxide
RN: 54484-92-3
InChIKey: IHRJJVWYJPRNNR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H22-Cl-N3-O-S

Molecular Weight

  • 387.9328
 
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Names and Synonyms

Results Name

  • IA-3 N-Oxide

Synonyms

  • BRN 0575123
  • IA-3 N-Oxide

Systematic Name

  • 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-2-ethanamine, 8-chloro-N,N-diethyl-5-methyl-, N-oxide

Registry Numbers

CAS Registry Number

  • 54484-92-3

System Generated Number

  • 0054484923

Structure Descriptors

InChI

1S/C20H22ClN3OS/c1-4-24(25,5-2)11-10-23-16-9-6-13(3)20-18(16)19(22-23)15-8-7-14(21)12-17(15)26-20/h6-9,12H,4-5,10-11H2,1-3H3

InChIKey

IHRJJVWYJPRNNR-UHFFFAOYSA-N

Smiles

c12c3c4c(sc2c(ccc1n(n3)CCN(=O)(CC)CC)C)cc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 700mg/kg (700mg/kg)   Cold Spring Harbor Conferences on Cell Proliferation. Vol. 4, Pg. 445, 1977.