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Substance Name: 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-
RN: 38767-87-2
InChIKey: RMCZBLNVNBUEQI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-Cl-N2-O3

Molecular Weight

  • 362.855
 
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Names and Synonyms

Synonyms

  • 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-(4-(2-hydroxy-3-(isopropylamino)propoxy)anilino)-
  • 5-Chloro-2-(4-(2-hydroxy-3-(isopropylamino)propoxy)anilino)-2,4,6-cycloheptatrien-1-one
  • BRN 2887858

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 38767-87-2

System Generated Number

  • 0038767872

Structure Descriptors

InChI

1S/C19H23ClN2O3/c1-13(2)21-11-16(23)12-25-17-7-5-15(6-8-17)22-18-9-3-14(20)4-10-19(18)24/h3-10,13,16,21,23H,11-12H2,1-2H3,(H,22,24)

InChIKey

RMCZBLNVNBUEQI-UHFFFAOYSA-N

Smiles

c1(Nc2ccc(OC[C@@H](CNC(C)C)O)cc2)c(ccc(cc1)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1024mg/kg (1024mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 514, 1974.