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Substance Name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-,(Z)-2-butenedioate (1:1)
RN: 24868-65-3
InChIKey: POLXLYADTRQESY-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-O3-S.C4-H4-O4

Molecular Weight

  • 450.509
 
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Names and Synonyms

Synonym

  • 8-(1,4-Benzodioxan-2-ylmethyl)-2-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-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-,(Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 24868-65-3

System Generated Number

  • 0024868653

Molecular Formulas

Molecular Formula

  • C17-H22-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H22-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2O3S.C4H4O4/c1-12-16(20)18-17(23-12)6-8-19(9-7-17)10-13-11-21-14-4-2-3-5-15(14)22-13;5-3(6)1-2-4(7)8/h2-5,12-13H,6-11H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

POLXLYADTRQESY-WLHGVMLRSA-N

Smiles

S1[C@@H](C)C(NC21CCN(C[C@@H]1Oc3c(OC1)cccc3)CC2)=O.C(\C=C\C(=O)O)(=O)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.