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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(5-phenylpent-4-ynyl)-
RN: 102504-95-0
InChIKey: VVVYFUYTFYIIDN-UHFFFAOYSA-N

Molecular Formula

  • C25-H29-N3-O

Molecular Weight

  • 387.5241
 
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Names and Synonyms

Synonyms

  • 3-Methyl-1-phenyl-8-(5-phenylpent-4-ynyl)-1,3,8-triazaspiro(4.5)decan-4-one
  • 3-Methyl-4-oxo-1-phenyl-8-(5-phenylpent-4-ynyl)-1,3,8-triazaspiro(4.5)decane

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(5-phenylpent-4-ynyl)-

Registry Numbers

CAS Registry Number

  • 102504-95-0

System Generated Number

  • 0102504950

Structure Descriptors

InChI

1S/C25H29N3O/c1-26-21-28(23-14-8-3-9-15-23)25(24(26)29)16-19-27(20-17-25)18-10-4-7-13-22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-15H,4,10,16-21H2,1H3

InChIKey

VVVYFUYTFYIIDN-UHFFFAOYSA-N

Smiles

CN1CN(C2(C1=O)CCN(CC2)CCCC#Cc3ccccc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11507,