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Substance Name: Ahr-602
RN: 52-61-9
InChIKey: WYDCXLIXKFFQFX-UHFFFAOYSA-M

Molecular Formula

  • C14-H20-N-O2.Br

Molecular Weight

  • 314.221
 
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Names and Synonyms

Name of Substance

  • Ahr-602

Synonyms

  • 3-Acetyloxy-1-benzyl-1-methylpyrrolidinium bromide
  • AHR 602
  • NSC 310214
  • Pyrrolidinium, 3-acetyloxy-1-benzyl-1-methyl-, bromide

Systematic Names

  • 1-Benzyl-3-hydroxy-1-methyl-pyrrolidinium bromide, acetate (7CI)
  • 3-(Acetyloxy)-1-methyl-1-(phenylmethyl)pyrrolidinium, bromide
  • Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, acetate (8CI)
  • Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (9CI)
  • Pyrrolidinium, 3-acetyloxy-1-benzyl-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 52-61-9

System Generated Number

  • 0000052619

Molecular Formulas

Molecular Formula

  • C14-H20-N-O2.Br

Molecular Formula Fragments

  • Br
  • C14-H20-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20NO2.BrH/c1-12(16)17-14-8-9-15(2,11-14)10-13-6-4-3-5-7-13;/h3-7,14H,8-11H2,1-2H3;1H/q+1;/p-1

InChIKey

WYDCXLIXKFFQFX-UHFFFAOYSA-M

Smiles

C1C[C@@H](OC(C)=O)C[N@@+]1(Cc1ccccc1)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56200ug/kg (56.2mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01199,