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Substance Name: Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate
RN: 6906-93-0
InChIKey: IYRYMYRUJQKSHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O.C6-H8-O7

Molecular Weight

  • 463.484
 
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Names and Synonyms

Synonym

  • 3-((1-(2-(Diethylamino)ethyl)-2-pyrrolyl)carbonyl)pyridine citrate

Systematic Name

  • Ketone, 1-(2-(diethylamino)ethyl)pyrrol-2-yl 3-pyridyl, citrate

Registry Numbers

CAS Registry Number

  • 6906-93-0

System Generated Number

  • 0006906930

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O.C6-H8-O7

Molecular Formula Fragments

  • C16-H21-N3-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21N3O.C6H8O7/c1-3-18(4-2)11-12-19-10-6-8-15(19)16(20)14-7-5-9-17-13-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-10,13H,3-4,11-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

IYRYMYRUJQKSHK-UHFFFAOYSA-N

Smiles

c1(C(c2cccnc2)=O)cccn1CC[NH+](CC)CC.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Chimica Therapeutica. Vol. 1, Pg. 127, 1966.