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Substance Name: Butyrophenone, 4'-fluoro-4-(6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride
RN: 23901-25-9
InChIKey: MGSXEOGSPHIRRK-UHFFFAOYSA-N

Molecular Formula

  • C23-H25-F-N-O.Cl-H

Molecular Weight

  • 400.922
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 23901-25-9

System Generated Number

  • 0023901259

Molecular Formulas

Molecular Formula

  • C23-H25-F-N-O.Cl-H

Molecular Formula Fragments

  • C23-H25-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25FN2O.ClH/c1-25-21-6-3-2-5-19(21)20-12-15-26(16-13-22(20)25)14-4-7-23(27)17-8-10-18(24)11-9-17;/h2-3,5-6,8-11H,4,7,12-16H2,1H3;1H

InChIKey

MGSXEOGSPHIRRK-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)n(c1CC[N@@H+](CC2)CCCC(c1ccc(F)cc1)=O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 23, 1970.