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Substance Name: Oxotremorine
RN: 70-22-4
UNII: 5RY0UWH1JL
InChIKey: RSDOPYMFZBJHRL-UHFFFAOYSA-N

Note

  • A non-hydrolyzed muscarinic agonist used as a research tool.

Molecular Formula

  • C12-H18-N2-O

Molecular Weight

  • 206.2872
 

Classification Codes

  • Cholinergic Agents
  • Cholinergic Agonists
  • Drug / Therapeutic Agent
  • Human Data
  • Muscarinic Agonists
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Oxotremorine

MeSH Heading

  • Oxotremorine

Synonyms

  • 1-(4-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinone
  • 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne
  • 5-21-06-00370 (Beilstein Handbook Reference)
  • BRN 1530948
  • EINECS 200-728-0
  • NSC 330497
  • Oxotremorin
  • Oxotremorine
  • Oxytremorine
  • Tremorine, oxo-
  • UNII-5RY0UWH1JL

Systematic Names

  • 1-(4-(Pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one
  • 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-

Registry Numbers

CAS Registry Number

  • 70-22-4

FDA UNII

  • 5RY0UWH1JL

System Generated Number

  • 0000070224

Structure Descriptors

InChI

1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2

InChIKey

RSDOPYMFZBJHRL-UHFFFAOYSA-N

Smiles

N1(C(CCC1)=O)CC#CCN1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 162ug/kg (0.162mg/kg) LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION Journal of Pharmaceutical Sciences. Vol. 57, Pg. 1543, 1968.
man TDLo oral 7ug/kg (0.007mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Journal of Psychiatry. Vol. 144, Pg. 468, 1987.
mouse LD50 intraperitoneal 3mg/kg (3mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC Archiv fuer Toxikologie. Vol. 29, Pg. 39, 1972.
mouse LD50 intravenous 1382ug/kg (1.382mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1760, 1985.
mouse LD50 oral 11300ug/kg (11.3mg/kg)   HHS Publication Vol. FDA-80-1076, Pg. 212, 1980.
rat LD50 intraperitoneal 4400ug/kg (4.4mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 67, 1969.
rat LD50 intravenous 1220ug/kg (1.22mg/kg)   Fundamental and Applied Toxicology. Vol. 14, Pg. 560, 1990.
women TDLo oral 10ug/kg (0.01mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Journal of Psychiatry. Vol. 144, Pg. 468, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 0.730 (none)   EST
Atmospheric OH Rate Constant 1.42E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.