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Substance Name: 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate
RN: 13501-07-0
InChIKey: ZKEYBUNLJBHEON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-N2-O3.C6-H8-O7

Molecular Weight

  • 594.614
 
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Names and Synonyms

Synonym

  • 1-(2-Benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-2-butanone citrate

Systematic Name

  • 2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate

Registry Numbers

CAS Registry Number

  • 13501-07-0

System Generated Number

  • 0013501070

Molecular Formulas

Molecular Formula

  • C25-H26-N2-O3.C6-H8-O7

Molecular Formula Fragments

  • C25-H26-N2-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C25H26N2O3.C6H8O7/c28-23(13-15-26-16-18-30-19-17-26)24(20-8-3-1-4-9-20)27-14-7-12-22(27)25(29)21-10-5-2-6-11-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-12,14,24H,13,15-19H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

ZKEYBUNLJBHEON-UHFFFAOYSA-N

Smiles

n1([C@@H](c2ccccc2)C(CC[NH+]2CCOCC2)=O)c(C(c2ccccc2)=O)ccc1.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 69mg/kg (69mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

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