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Substance Name: 3-Azetidinol, 1-(1,1-diethyl-2-propynyl)-, methylcarbamate (ester), fumarate (1:1)
RN: 65226-02-0
InChIKey: URIIUFUJEFUPNL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O2.C4-H4-O4

Molecular Weight

  • 340.374
 
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Names and Synonyms

Synonyms

  • 1-(1,1-Diethyl-2-propynyl)-3-azetidinol methylcarbamate (E)-2-butenedioate (1:1)
  • 1-(1,1-Diethyl-2-propynyl)-3-azetidinol methylcarbamate (ester) fumarate (1:1)

Systematic Name

  • 3-Azetidinol, 1-(1,1-diethyl-2-propynyl)-, methylcarbamate (ester), fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 65226-02-0

System Generated Number

  • 0065226020

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C12-H20-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H20N2O2.C4H4O4/c1-5-12(6-2,7-3)14-8-10(9-14)16-11(15)13-4;5-3(6)1-2-4(7)8/h1,10H,6-9H2,2-4H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

URIIUFUJEFUPNL-WLHGVMLRSA-N

Smiles

C([NH+]1CC(C1)OC(NC)=O)(CC)(CC)C#C.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 190mg/kg (190mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 447, 1977.