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Substance Name: Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide
RN: 4034-04-2
InChIKey: BNRSYHZCAVBITF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-Cl-N-O2.Br

Molecular Weight

  • 350.682
 
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Names and Synonyms

Synonyms

  • ((3-((p-Chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethylammonium bromide
  • H.C. 6007

Systematic Names

  • Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetany)methyl)trimethyl-, bromide
  • Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 4034-04-2

System Generated Number

  • 0004034042

Molecular Formulas

Molecular Formula

  • C14-H21-Cl-N-O2.Br

Molecular Formula Fragments

  • Br
  • C14-H21-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21ClNO2.BrH/c1-16(2,3)8-14(9-17-10-14)11-18-13-6-4-12(15)5-7-13;/h4-7H,8-11H2,1-3H3;1H/q+1;/p-1

InChIKey

BNRSYHZCAVBITF-UHFFFAOYSA-M

Smiles

C1(COc2ccc(Cl)cc2)(COC1)C[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 29mg/kg (29mg/kg)   Therapie. Vol. 20, Pg. 409, 1965.
mouse LD50 unreported 30mg/kg (30mg/kg)   Therapie. Vol. 19, Pg. 689, 1964.