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Substance Name: 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide
RN: 25451-04-1
InChIKey: ZDSZCUGBELZLCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O2.Br-H

Molecular Weight

  • 276.172
 
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Names and Synonyms

Synonyms

  • 2-(p-Aminophenyl)-2-ethyl-1,3-propanediol hydrobromide
  • 2-Ethyl-2-(p-aminophenyl)-1,3-propanediol hydrobromide

Systematic Name

  • 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 25451-04-1

System Generated Number

  • 0025451041

Molecular Formulas

Molecular Formula

  • C11-H17-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C11-H17-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NO2.BrH/c1-2-11(7-13,8-14)9-3-5-10(12)6-4-9;/h3-6,13-14H,2,7-8,12H2,1H3;1H

InChIKey

ZDSZCUGBELZLCO-UHFFFAOYSA-N

Smiles

C(C(CO)(CC)c1ccc(cc1)N)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.