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Substance Name: Ethanone, 1-(2,5-bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-
RN: 87049-10-3
InChIKey: OXDDVWDPRLBBCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H34-N2-O5

Molecular Weight

  • 382.498
 
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Names and Synonyms

Synonyms

  • 1-(2,5-Bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)ethanone
  • 2,5-Bis((2-hydroxy-3-isopropylamino)propoxy)acetophenone
  • BRN 4540402

Systematic Name

  • Ethanone, 1-(2,5-bis(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 87049-10-3

System Generated Number

  • 0087049103

Structure Descriptors

InChI

1S/C20H34N2O5/c1-13(2)21-9-16(24)11-26-18-6-7-20(19(8-18)15(5)23)27-12-17(25)10-22-14(3)4/h6-8,13-14,16-17,21-22,24-25H,9-12H2,1-5H3

InChIKey

OXDDVWDPRLBBCI-UHFFFAOYSA-N

Smiles

c1(c(cc(OC[C@@H](CNC(C)C)O)cc1)C(C)=O)OC[C@@H](CNC(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14600ug/kg (14.6mg/kg) BEHAVIORAL: EXCITEMENT Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.