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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-, bromide, xanthene-9-carboxylate
RN: 29125-64-2
InChIKey: XCHZYDMXBSTVPA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N-O3.Br

Molecular Weight

  • 430.34
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-(9-xanthenylcarboxy)quinuclidinium bromide
  • 3-(9-Xanthenylcarboxy)quinuclidine methobromide
  • 3-Hydroxy-1-methylquinuclidinium bromide xanthene-9-carboxylate

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-, bromide, xanthene-9-carboxylate

Registry Numbers

CAS Registry Number

  • 29125-64-2

System Generated Number

  • 0029125642

Molecular Formulas

Molecular Formula

  • C22-H24-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H24-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24NO3.BrH/c1-23-12-10-15(11-13-23)20(14-23)26-22(24)21-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)21;/h2-9,15,20-21H,10-14H2,1H3;1H/q+1;/p-1

InChIKey

XCHZYDMXBSTVPA-UHFFFAOYSA-M

Smiles

C1CC2CC[N+]1(C[C@@H]2OC(C1c2c(Oc3c1cccc3)cccc2)=O)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 6700ug/kg (6.7mg/kg)   United States Patent Document. Vol. #3714357,
mouse LDLo subcutaneous 300mg/kg (300mg/kg)   United States Patent Document. Vol. #3714357,
rat LDLo subcutaneous 395mg/kg (395mg/kg)   United States Patent Document. Vol. #3714357,