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Substance Name: 1,2,4-Benzothiadiazepine, 2,5-dihydro-2-methyl-3-(p-nitrophenyl)-, 1,1-dioxide
RN: 40431-27-4
InChIKey: JVYDWOYHXBAKPW-UHFFFAOYSA-N

Molecular Formula

  • C15-H13-N3-O4-S

Molecular Weight

  • 331.3507
 
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Names and Synonyms

Synonyms

  • 2,5-Dihydro-2-methyl-3-(p-nitrophenyl)-1,2,4-benzothiadiazepine 1,1-dioxide
  • BRN 1029934

Systematic Name

  • 1,2,4-Benzothiadiazepine, 2,5-dihydro-2-methyl-3-(p-nitrophenyl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 40431-27-4

System Generated Number

  • 0040431274

Structure Descriptors

InChI

1S/C15H13N3O4S/c1-17-15(11-6-8-13(9-7-11)18(19)20)16-10-12-4-2-3-5-14(12)23(17,21)22/h2-9H,10H2,1H3

InChIKey

JVYDWOYHXBAKPW-UHFFFAOYSA-N

Smiles

CN1C(=NCc2ccccc2S1(=O)=O)c3ccc(cc3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 887, 1972.