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Substance Name: Ammonium, (m-(2,3-dihydroxypropoxy)phenyl)trimethyl-, bromide
RN: 109731-98-8
InChIKey: XXKVUMVKGKQORA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N-O3.Br

Molecular Weight

  • 306.198
 
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Names and Synonyms

Synonyms

  • (m-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide
  • 3-(m-Dimethylaminophenoxy)-1,2-propanediol methobromide

Systematic Names

  • (m-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide
  • Ammonium, (m-(2,3-dihydroxypropoxy)phenyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 109731-98-8

System Generated Number

  • 0109731988

Molecular Formulas

Molecular Formula

  • C12-H20-N-O3.Br

Molecular Formula Fragments

  • Br
  • C12-H20-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H20NO3.BrH/c1-13(2,3)10-5-4-6-12(7-10)16-9-11(15)8-14;/h4-7,11,14-15H,8-9H2,1-3H3;1H/q+1;/p-1

InChIKey

XXKVUMVKGKQORA-UHFFFAOYSA-M

Smiles

c1(cc(ccc1)[N+](C)(C)C)OC[C@@H](CO)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 99, 1956.