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Substance Name: Heptanonitrile, 7-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-
RN: 101913-95-5
InChIKey: GDFRSJQALJTCDV-UHFFFAOYSA-N

Molecular Formula

  • C21-H30-N4-O

Molecular Weight

  • 354.495
 
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Names and Synonyms

Synonyms

  • 7-(3-Methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)heptanonitrile
  • 8-(6-Cyanohexyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane

Systematic Name

  • Heptanonitrile, 7-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)-

Registry Numbers

CAS Registry Number

  • 101913-95-5

System Generated Number

  • 0101913955

Structure Descriptors

InChI

1S/C21H30N4O/c1-23-18-25(19-10-6-5-7-11-19)21(20(23)26)12-16-24(17-13-21)15-9-4-2-3-8-14-22/h5-7,10-11H,2-4,8-9,12-13,15-18H2,1H3

InChIKey

GDFRSJQALJTCDV-UHFFFAOYSA-N

Smiles

C12(N(c3ccccc3)CN(C1=O)C)CCN(CCCCCCC#N)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11753,