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Substance Name: Acetamide, N-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-, dihydrochloride
RN: 38767-91-8
InChIKey: MSGHIZOUECXWIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O4.2Cl-H

Molecular Weight

  • 458.3831
 
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Names and Synonyms

  • Acetamide, N-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 38767-91-8

System Generated Number

  • 0038767918

Molecular Formulas

Molecular Formula

  • C21-H27-N3-O4.2Cl-H

Molecular Formula Fragments

  • C21-H27-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3O4.2ClH/c1-14(2)22-12-18(26)13-28-19-8-4-17(5-9-19)24-20-10-6-16(23-15(3)25)7-11-21(20)27;;/h4-11,14,18,22,26H,12-13H2,1-3H3,(H,23,25)(H,24,27);2*1H

InChIKey

MSGHIZOUECXWIV-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1ccc(cc1)Nc2ccc(ccc2=O)NC(=O)C)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 647mg/kg (647mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 514, 1974.