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Substance Name: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl-N,N-dimethyl-4-oxo-1-phenyl-, fumarate
RN: 102395-29-9
InChIKey: USJPQLSOPILDDQ-WLHGVMLRSA-N

Molecular Formula

  • C28-H35-F-N4-O4.C4-H4-O4

Molecular Weight

  • 626.6781
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 102395-29-9

System Generated Number

  • 0102395299

Molecular Formulas

Molecular Formula

  • C28-H35-F-N4-O4.C4-H4-O4

Molecular Formula Fragments

  • C28-H35-F-N4-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35FN4O4.C4H4O4/c1-4-16-31-17-14-27(15-18-31)25(34)33(26(35)30(2)3,21-32(27)24-8-6-5-7-9-24)28(36-19-20-37-28)22-10-12-23(29)13-11-22;5-3(6)1-2-4(7)8/h5-13,21H,4,14-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

USJPQLSOPILDDQ-WLHGVMLRSA-N

Smiles

CCCN1CCC2(CC1)C(=O)N(=CN2c3ccccc3)(C(=O)N(C)C)C4(OCCO4)c5ccc(cc5)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11857,