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Substance Name: Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperidinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1)
RN: 155444-11-4
InChIKey: PUWACPASTBTSBQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O3-S.C4-H4-O4

Molecular Weight

  • 502.585
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 155444-11-4

System Generated Number

  • 0155444114

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O3S.C4H4O4/c1-22-19-11-5-3-9-17(19)21(26-16-15-23-13-7-2-8-14-23)18-10-4-6-12-20(18)27(22,24)25;5-3(6)1-2-4(7)8/h3-6,9-12,21H,2,7-8,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PUWACPASTBTSBQ-WLHGVMLRSA-N

Smiles

CN1c2ccccc2C(c3ccccc3S1(=O)=O)OCCN4CCCCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 233mg/kg (233mg/kg)   Archiv der Pharmazie Vol. 327, Pg. 157, 1994.