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Substance Name: Ketone, benzyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
RN: 7083-24-1
InChIKey: FYKLBBZCEZQDEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-O.C6-H8-O7

Molecular Weight

  • 462.496
 
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Names and Synonyms

Synonym

  • 1-(2-(Dimethylamino)propyl)-2-(phenylacetyl)pyrrole citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 7083-24-1

System Generated Number

  • 0007083241

Molecular Formulas

Molecular Formula

  • C17-H22-N2-O.C6-H8-O7

Molecular Formula Fragments

  • C17-H22-N2-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2O.C6H8O7/c1-14(18(2)3)13-19-11-7-10-16(19)17(20)12-15-8-5-4-6-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,14H,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

FYKLBBZCEZQDEP-UHFFFAOYSA-N

Smiles

n1(cccc1C(Cc1ccccc1)=O)C[C@@H]([NH+](C)C)C.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 40mg/kg (40mg/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.