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Substance Name: 1,3,8-Triazaspiro(4,5)decan-4-one, 3-methyl-1-phenyl-8-(3-(2-(2-thienyl)-1,3-dioxolan-2-yl)propyl)-, fumarate
RN: 102504-98-3
InChIKey: ZHYGZHJQHJDEGT-WLHGVMLRSA-N

Molecular Formula

  • C24-H31-N3-O3-S.C4-H4-O4

Molecular Weight

  • 557.6645
 
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Names and Synonyms

  • 1,3,8-Triazaspiro(4,5)decan-4-one, 3-methyl-1-phenyl-8-(3-(2-(2-thienyl)-1,3-dioxolan-2-yl)propyl)-, fumarate

Registry Numbers

CAS Registry Number

  • 102504-98-3

System Generated Number

  • 0102504983

Molecular Formulas

Molecular Formula

  • C24-H31-N3-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C24-H31-N3-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N3O3S.C4H4O4/c1-25-19-27(20-7-3-2-4-8-20)23(22(25)28)11-14-26(15-12-23)13-6-10-24(29-16-17-30-24)21-9-5-18-31-21;5-3(6)1-2-4(7)8/h2-5,7-9,18H,6,10-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZHYGZHJQHJDEGT-WLHGVMLRSA-N

Smiles

CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)c4cccs4)c5ccccc5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11906,