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Substance Name: Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-nitrophenyl)-
RN: 1248-48-2
InChIKey: AFOWQUDKVGJYGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O4

Molecular Weight

  • 371.435
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Dimethoxyphenethyl)-4-(o-nitrophenyl)piperazine
  • 5-23-02-00160 (Beilstein Handbook Reference)
  • BRN 0630007

Systematic Name

  • Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 1248-48-2

System Generated Number

  • 0001248482

Structure Descriptors

InChI

1S/C20H25N3O4/c1-26-19-8-7-16(15-20(19)27-2)9-10-21-11-13-22(14-12-21)17-5-3-4-6-18(17)23(24)25/h3-8,15H,9-14H2,1-2H3

InChIKey

AFOWQUDKVGJYGP-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)[N+]([O-])=O)N1CCN(CCc2ccc(c(c2)OC)OC)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC

LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR DILATION

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Medicinal Chemistry. Vol. 8, Pg. 104, 1965.