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Substance Name: 1,3,8-Triazaspiro(4,5)decan-4-one, 1-phenyl-8-(3-(2-(2-thienyl)-1,3-dioxolan-2-yl)propyl)-, fumarate
RN: 102505-06-6
InChIKey: SADOYKVGRGQJQK-WLHGVMLRSA-N

Molecular Formula

  • C23-H29-N3-O3-S.C4-H4-O4

Molecular Weight

  • 543.6377
 
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Names and Synonyms

Synonym

  • 8-(3-(2-Thienyl-2-dioxolanyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102505-06-6

System Generated Number

  • 0102505066

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C23-H29-N3-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O3S.C4H4O4/c27-21-22(26(18-24-21)19-6-2-1-3-7-19)10-13-25(14-11-22)12-5-9-23(28-15-16-29-23)20-8-4-17-30-20;5-3(6)1-2-4(7)8/h1-4,6-8,17H,5,9-16,18H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

SADOYKVGRGQJQK-WLHGVMLRSA-N

Smiles

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC4(OCCO4)c5cccs5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11918,