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Substance Name: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide
RN: 87566-63-0
InChIKey: ROPAWAZLCYHTMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O2

Molecular Weight

  • 311.3829
 
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Names and Synonyms

  • Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide

Registry Numbers

CAS Registry Number

  • 87566-63-0

System Generated Number

  • 0087566630

Structure Descriptors

InChI

1S/C18H21N3O2/c1-13-5-6-16-15(10-13)18(17-4-3-9-23-17)21(22)12-14-11-19(2)7-8-20(14)16/h3-6,9-10,14H,7-8,11-12H2,1-2H3

InChIKey

ROPAWAZLCYHTMA-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C(=[N+](CC3N2CCN(C3)C)[O-])c4ccco4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 311mg/kg (311mg/kg)   United States Patent Document. Vol. #4594436,