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Substance Name: 3-Quinuclidinol, benzylate (ester), hydrochloride
RN: 13004-56-3
InChIKey: PCUCDCGDXBQWEX-UHFFFAOYSA-N

Note

  • A high-affinity muscarinic antagonist commonly used as a tool in animal and tissue studies.

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Weight

  • 373.878
 
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Names and Synonyms

Synonyms

  • 1-Azabicyclo(2.2.2)octan-3-ol, benzylate (ester), hydrochloride
  • 3-Quinuclidinyl benzilate hydrochloride
  • Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, HCl
  • Benzilic acid, 3-quinuclidinyl ester, hydrochloride
  • CHEKB
  • HNB 3
  • Quinuclidyl benzylate hydrochloride

Systematic Name

  • 3-Quinuclidinol, benzylate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 13004-56-3

System Generated Number

  • 0013004563

Molecular Formulas

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO3.ClH/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,16,19,24H,11-15H2;1H

InChIKey

PCUCDCGDXBQWEX-UHFFFAOYSA-N

Smiles

C12CCN(C[C@@H]1OC(C(c1ccccc1)(c1ccccc1)O)=O)CC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 15mg/kg (15mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 291, 1952.
human TDLo subcutaneous 3ug/kg (0.003mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 291, 1952.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03527,