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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-, iodide, diphenylacetate (ester)
RN: 62604-46-0
InChIKey: XTUKWUMTJWLTSV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N-O2.I

Molecular Weight

  • 463.3524
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-1-methyl-quinuclidinium iodide diphenylacetate (ester)

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-, iodide, diphenylacetate (ester)

Registry Numbers

CAS Registry Number

  • 62604-46-0

System Generated Number

  • 0062604460

Molecular Formulas

Molecular Formula

  • C22-H26-N-O2.I

Molecular Formula Fragments

  • C22-H26-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H26NO2.HI/c1-23-14-12-17(13-15-23)20(16-23)25-22(24)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20-21H,12-16H2,1H3;1H/q+1;/p-1

InChIKey

XTUKWUMTJWLTSV-UHFFFAOYSA-M

Smiles

C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)c4ccccc4.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/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 6600ug/kg (6.6mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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