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Substance Name: 1-Piperazineethanol, 4-(3-methoxyphenyl)-alpha-((3-nitrophenoxy)methyl)-
RN: 64511-46-2
InChIKey: IBGOSVKLWFSLBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O5

Molecular Weight

  • 387.4335
 
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Names and Synonyms

Synonyms

  • 4-(3-Methoxyphenyl)-alpha-((3-nitrophenoxy)methyl)-1-piperazineethanol
  • 5-23-02-00145 (Beilstein Handbook Reference)
  • BRN 0584951

Systematic Name

  • 1-Piperazineethanol, 4-(3-methoxyphenyl)-alpha-((3-nitrophenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 64511-46-2

System Generated Number

  • 0064511462

Structure Descriptors

InChI

1S/C20H25N3O5/c1-27-19-6-2-4-16(12-19)22-10-8-21(9-11-22)14-18(24)15-28-20-7-3-5-17(13-20)23(25)26/h2-7,12-13,18,24H,8-11,14-15H2,1H3

InChIKey

IBGOSVKLWFSLBR-UHFFFAOYSA-N

Smiles

COc1cccc(c1)N2CCN(CC2)CC(COc3cccc(c3)[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.