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Substance Name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1)
RN: 36844-72-1
InChIKey: VPLMUOUQBUIJKD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-Cl-N2-O3-S.C4-H4-O4

Molecular Weight

  • 470.928
 
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Names and Synonyms

Synonym

  • 8-((7-Chloro-1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate

Systematic Name

  • 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 36844-72-1

System Generated Number

  • 0036844721

Molecular Formulas

Molecular Formula

  • C16-H19-Cl-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H19-Cl-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19ClN2O3S.C4H4O4/c17-11-1-2-13-14(7-11)22-12(9-21-13)8-19-5-3-16(4-6-19)18-15(20)10-23-16;5-3(6)1-2-4(7)8/h1-2,7,12H,3-6,8-10H2,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VPLMUOUQBUIJKD-WLHGVMLRSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.S1CC(NC21CCN(CC2)C[C@@H]1Oc2c(OC1)ccc(c2)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 798, 1971.