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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-
RN: 38768-00-2
InChIKey: QNNIQNWQWDFNSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3

Molecular Weight

  • 368.474
 
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Names and Synonyms

Synonyms

  • 2,4,6-Cycloheptatrien-1-one, 2-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)anilino)-
  • 2-((4-(3-(Cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-2,4,6-cycloheptatrien-1-one
  • BRN 2894573

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2-((4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 38768-00-2

System Generated Number

  • 0038768002

Structure Descriptors

InChI

1S/C22H28N2O3/c25-19(15-23-17-7-3-1-4-8-17)16-27-20-13-11-18(12-14-20)24-21-9-5-2-6-10-22(21)26/h2,5-6,9-14,17,19,23,25H,1,3-4,7-8,15-16H2,(H,24,26)

InChIKey

QNNIQNWQWDFNSF-UHFFFAOYSA-N

Smiles

c1(Nc2c(ccccc2)=O)ccc(OC[C@@H](CNC2CCCCC2)O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1415mg/kg (1415mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 514, 1974.