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Substance Name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-8-methoxy-1,4-benzodioxin-2-yl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 36913-71-0
InChIKey: IJTMIXAPOHQGLG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-O4-S.C4-H4-O4

Molecular Weight

  • 466.508
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 36913-71-0

System Generated Number

  • 0036913710

Molecular Formulas

Molecular Formula

  • C17-H22-N2-O4-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H22-N2-O4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2O4S.C4H4O4/c1-21-13-3-2-4-14-16(13)23-12(10-22-14)9-19-7-5-17(6-8-19)18-15(20)11-24-17;5-3(6)1-2-4(7)8/h2-4,12H,5-11H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IJTMIXAPOHQGLG-WLHGVMLRSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.S1CC(NC21CCN(CC2)C[C@@H]1Oc2c(OC1)cccc2OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/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.