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Substance Name: Semotiadil fumarate
RN: 116476-14-3
UNII: 48E2Q389VX
InChIKey: DIEJEELGDWGUCV-CNTJLTAHSA-N

Classification Codes

  • Anti-Arrhythmia Agents
  • Calcium Channel Blockers
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Membrane Transport Modulators

Molecular Formula

  • C29-H32-N2-O6-S.C4-H4-O4

Molecular Weight

  • 652.717
 
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Names and Synonyms

Name of Substance

  • Semotiadil fumarate
  • Sesamodil

Synonyms

  • SD 3211
  • Semotiadil fumarate
  • Sesamodil fumarate
  • UNII-48E2Q389VX

Systematic Name

  • 2H-1,4-Benzothiazin-3(4H)-one, 2-(2-(3-((2-(1,3-benzodioxol-5-yloxy)ethyl)methylamino)propoxy)-5-methoxyphenyl)-4-methyl-, (R)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 116476-14-3

FDA UNII

  • 48E2Q389VX

System Generated Number

  • 0116476143

Molecular Formulas

Molecular Formula

  • C29-H32-N2-O6-S.C4-H4-O4

Molecular Formula Fragments

  • C29-H32-N2-O6-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H32N2O6S.C4H4O4/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28;5-3(6)1-2-4(7)8/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-;/m1./s1

InChIKey

DIEJEELGDWGUCV-CNTJLTAHSA-N

Smiles

c1cc2N(C([C@H](Sc2cc1)c1c(ccc(c1)OC)OCCC[N@@](CCOc1ccc2c(c1)OCO2)C)=O)C.C(\C=C\C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 206mg/kg (206mg/kg)   Cardiovascular Drug Reviews. Vol. 14, Pg. 97, 1996.