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Substance Name: 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate
RN: 59921-90-3
InChIKey: NDQMUSLMAROHGY-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3.C4-H4-O4

Molecular Weight

  • 391.418
 
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Names and Synonyms

Synonym

  • 7-(4-(1-Pyrrolidinyl)butyryl)-1,4-benzodioxane maleate

Systematic Name

  • 1,4-Benzodioxane, 7-(4-(1-pyrrolidinyl)butyryl)-, maleate

Registry Numbers

CAS Registry Number

  • 59921-90-3

System Generated Number

  • 0059921903

Molecular Formulas

Molecular Formula

  • C16-H21-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C16-H21-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO3.C4H4O4/c18-14(4-3-9-17-7-1-2-8-17)13-5-6-15-16(12-13)20-11-10-19-15;5-3(6)1-2-4(7)8/h5-6,12H,1-4,7-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

NDQMUSLMAROHGY-BTJKTKAUSA-N

Smiles

c12c(ccc(c1)C(CCC[NH+]1CCCC1)=O)OCCO2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 442, 1976.