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Substance Name: 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
RN: 59921-92-5
InChIKey: HDBDDARQHIHXLX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O.C6-H8-O7

Molecular Weight

  • 410.42
 
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Names and Synonyms

Synonyms

  • 1-(4-Pyridyl)-4-(1-pyrrolidinyl)-1-butanone citrate
  • 1-Isonicotinoil-3-pirrolidinopropano citrato
  • 1-Isonicotinoil-3-pirrolidinopropano citrato [Italian]

Systematic Name

  • 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate

Registry Numbers

CAS Registry Number

  • 59921-92-5

System Generated Number

  • 0059921925

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O.C6-H8-O7

Molecular Formula Fragments

  • C13-H18-N2-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O.C6H8O7/c16-13(12-5-7-14-8-6-12)4-3-11-15-9-1-2-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8H,1-4,9-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

HDBDDARQHIHXLX-UHFFFAOYSA-N

Smiles

C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O.c1(C(CCC[NH+]2CCCC2)=O)ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 442, 1976.