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Substance Name: 1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide
RN: 115243-01-1
InChIKey: OQSKAJOHRZTSEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N3-O4-S

Molecular Weight

  • 401.4847
 
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Names and Synonyms

  • 1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide

Registry Numbers

CAS Registry Number

  • 115243-01-1

System Generated Number

  • 0115243011

Structure Descriptors

InChI

1S/C20H23N3O4S/c1-26-18-9-8-15(14-19(18)27-2)10-13-22-11-5-12-23-17-7-4-3-6-16(17)21-20(23)28(22,24)25/h3-4,6-9,14H,5,10-13H2,1-2H3

InChIKey

OQSKAJOHRZTSEQ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CCN2CCCn3c4ccccc4nc3S2(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3200mg/kg (3200mg/kg)   United States Patent Document. Vol. #4943570,