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Substance Name: 1,3,8-Triazaspiro(4,5)decan-4-one, 3-allyl-1-phenyl-8-(3-(2-(2-thienyl)-1,3-dioxolan-2-yl)propyl)-, fumarate
RN: 102395-43-7
InChIKey: OACZVKSTFWENSU-WLHGVMLRSA-N

Molecular Formula

  • C26-H33-N3-O3-S.C4-H4-O4

Molecular Weight

  • 583.7023
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 102395-43-7

System Generated Number

  • 0102395437

Molecular Formulas

Molecular Formula

  • C26-H33-N3-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C26-H33-N3-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33N3O3S.C4H4O4/c1-2-14-28-21-29(22-8-4-3-5-9-22)25(24(28)30)12-16-27(17-13-25)15-7-11-26(31-18-19-32-26)23-10-6-20-33-23;5-3(6)1-2-4(7)8/h2-6,8-10,20H,1,7,11-19,21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OACZVKSTFWENSU-WLHGVMLRSA-N

Smiles

C=CCN1CN(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 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11919,