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Substance Name: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N,N-dimethyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, oxalate
RN: 102395-24-4
InChIKey: SJXQNHDATFWLGP-UHFFFAOYSA-N

Molecular Formula

  • C28-H35-F-N4-O4.C2-H2-O4

Molecular Weight

  • 600.6403
 
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Names and Synonyms

  • 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N,N-dimethyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, oxalate

Registry Numbers

CAS Registry Number

  • 102395-24-4

System Generated Number

  • 0102395244

Molecular Formulas

Molecular Formula

  • C28-H35-F-N4-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C28-H35-F-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35FN4O4.C2H2O4/c1-30(2)26(35)32-21-33(24-7-4-3-5-8-24)27(25(32)34)14-17-31(18-15-27)16-6-13-28(36-19-20-37-28)22-9-11-23(29)12-10-22;3-1(4)2(5)6/h3-5,7-12H,6,13-21H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

SJXQNHDATFWLGP-UHFFFAOYSA-N

Smiles

CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)c4ccc(cc4)F)c5ccccc5.C(=O)(C(=O)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#11807,