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Substance Name: Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-
RN: 114460-08-1
InChIKey: AQTITSBNGSVQNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O2

Molecular Weight

  • 295.3403
 
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Names and Synonyms

Synonyms

  • 1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine
  • 4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamine

Systematic Name

  • Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-

Registry Numbers

CAS Registry Number

  • 114460-08-1

System Generated Number

  • 0114460081

Structure Descriptors

InChI

1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3

InChIKey

AQTITSBNGSVQNZ-UHFFFAOYSA-N

Smiles

CC1Cc2cc3c(cc2C(=NN1)c4ccc(cc4)N)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   United States Patent Document. Vol. #4835152,
mouse LD50 oral 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4835152,
rat LD50 intraperitoneal 250mg/kg (250mg/kg)   United States Patent Document. Vol. #4835152,
rat LD50 oral 350mg/kg (350mg/kg)   United States Patent Document. Vol. #4835152,