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Substance Name: Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate
RN: 7001-97-0
InChIKey: QADJMRYFQBLPMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O.C6-H9-O10

Molecular Weight

  • 448.469
 
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Names and Synonyms

Synonym

  • 2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate

Systematic Name

  • Ketone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate

Registry Numbers

CAS Registry Number

  • 7001-97-0

System Generated Number

  • 0007001970

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O.C6-H9-O10

Molecular Formula Fragments

  • C16-H20-N2-O
  • C6-H9-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N2O.C6H8O7/c1-13(17(2)3)12-18-11-7-10-15(18)16(19)14-8-5-4-6-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,13H,12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

QADJMRYFQBLPMU-UHFFFAOYSA-N

Smiles

c1(cccn1C[C@@H]([NH+](C)C)C)C(c1ccccc1)=O.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 45mg/kg (45mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chimica Therapeutica. Vol. 1, Pg. 127, 1966.