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Substance Name: 2H,7H-(1,4)Dioxepino(2,3-g)-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, 1,1-dioxide
RN: 101389-34-8
InChIKey: XKOFWTSBRWQMHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N4-O6-S

Molecular Weight

  • 488.5622
 
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Names and Synonyms

  • 2H,7H-(1,4)Dioxepino(2,3-g)-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 101389-34-8

System Generated Number

  • 0101389348

Structure Descriptors

InChI

1S/C23H28N4O6S/c1-31-19-6-3-2-5-18(19)26-10-7-25(8-11-26)9-12-27-23(28)24-17-15-20-21(33-14-4-13-32-20)16-22(17)34(27,29)30/h2-3,5-6,15-16H,4,7-14H2,1H3,(H,24,28)

InChIKey

XKOFWTSBRWQMHU-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CCN3C(=O)Nc4cc5OCCCOc5cc4S3(=O)=O)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4716161,