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Substance Name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 36844-85-6
InChIKey: YBGQVMJAFCSUCO-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-ylethyl)-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-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 36844-85-6

System Generated Number

  • 0036844856

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/c20-16-12-23-17(18-16)6-9-19(10-7-17)8-5-13-11-21-14-3-1-2-4-15(14)22-13;5-3(6)1-2-4(7)8/h1-4,13H,5-12H2,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YBGQVMJAFCSUCO-WLHGVMLRSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.S1CC(NC21CCN(CC2)CC[C@@H]1Oc2c(OC1)cccc2)=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.