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Substance Name: Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-pyrrolidinyl)ethoxy)-, 5,5-dioxide(Z)-2-butenedioate (1:1)
RN: 155444-09-0
InChIKey: JOPYULOJQGTWIS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O3-S.C4-H4-O4

Molecular Weight

  • 488.5582
 
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Names and Synonyms

  • Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-pyrrolidinyl)ethoxy)-, 5,5-dioxide(Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 155444-09-0

System Generated Number

  • 0155444090

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H24-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O3S.C4H4O4/c1-21-18-10-4-2-8-16(18)20(25-15-14-22-12-6-7-13-22)17-9-3-5-11-19(17)26(21,23)24;5-3(6)1-2-4(7)8/h2-5,8-11,20H,6-7,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JOPYULOJQGTWIS-WLHGVMLRSA-N

Smiles

CN1c2ccccc2C(c3ccccc3S1(=O)=O)OCCN4CCCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 309mg/kg (309mg/kg)   Archiv der Pharmazie Vol. 327, Pg. 157, 1994.