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Substance Name: 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-((4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)amino)-
RN: 38767-88-3
InChIKey: SLOFMNJNPTZBKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-Cl-N2-O3

Molecular Weight

  • 376.882
 
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Names and Synonyms

Synonyms

  • 2,4,6-Cycloheptatrien-1-one, 2-(4-(3-(tert-butylamino)-2-hydroxypropoxy)anilino)-5-chloro-
  • 2-(4-(3-(tert-Butylamino)-2-hydroxypropoxy)anilino)-5-chloro-2,4,6-cycloheptatrien-1-one
  • BRN 2888412

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 5-chloro-2-((4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 38767-88-3

System Generated Number

  • 0038767883

Structure Descriptors

InChI

1S/C20H25ClN2O3/c1-20(2,3)22-12-16(24)13-26-17-8-6-15(7-9-17)23-18-10-4-14(21)5-11-19(18)25/h4-11,16,22,24H,12-13H2,1-3H3,(H,23,25)

InChIKey

SLOFMNJNPTZBKE-UHFFFAOYSA-N

Smiles

C(NC[C@@H](COc1ccc(Nc2c(ccc(cc2)Cl)=O)cc1)O)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 596mg/kg (596mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 514, 1974.