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Substance Name: Oxotremorine sesquifumarate
RN: 17360-35-9
InChIKey: WLYYOFJEBGHKEC-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O.3/2C4-H4-O4

Molecular Weight

  • 760.789
 
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Names and Synonyms

Name of Substance

  • Oxotremorine sesquifumarate

Synonyms

  • 1-(N-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinone sesquifumarate
  • EINECS 241-388-3
  • Oxotremorine fumarate (2:3)
  • Oxotremorine sesquifumarate

Systematic Names

  • 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, (E)-2-butenedioate (2:3) (9CI)
  • 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (2:3) (8CI)
  • 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, sesquifumarate
  • Bis(1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one) trifumarate

Registry Numbers

CAS Registry Number

  • 17360-35-9

System Generated Number

  • 0017360359

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O.3/2C4-H4-O4

Molecular Formula Fragments

  • C12-H18-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

WLYYOFJEBGHKEC-VQYXCCSOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6500ug/kg (6.5mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 227, 1974.
mouse LD50 intravenous 20mg/kg (20mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04243,