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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-hydroxymethyl-2-phenyl butyrate (ester)
RN: 102338-74-9
InChIKey: ZEOKYCAHUNLIKR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N-O2.I

Molecular Weight

  • 445.3342
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-1-methyl-quinuclidinium iodide 2-hydroxymethyl-2-phenyl butyrate (ester)

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-hydroxymethyl-2-phenyl butyrate (ester)

Registry Numbers

CAS Registry Number

  • 102338-74-9

System Generated Number

  • 0102338749

Molecular Formulas

Molecular Formula

  • C19-H28-N-O2.I

Molecular Formula Fragments

  • C19-H28-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H28NO3.HI/c1-3-19(14-21,16-7-5-4-6-8-16)18(22)23-17-13-20(2)11-9-15(17)10-12-20;/h4-8,15,17,21H,3,9-14H2,1-2H3;1H/q+1;/p-1

InChIKey

ZEOKYCAHUNLIKR-UHFFFAOYSA-M

Smiles

CCC(CO)(c1ccccc1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 78mg/kg (78mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.
mouse LD50 intravenous 18500ug/kg (18.5mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.