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Substance Name: Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride
RN: 1164-74-5
InChIKey: MHPSVUBTALLMNU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-F-N2-O.2Cl-H

Molecular Weight

  • 405.382
 
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Names and Synonyms

Synonym

  • 4'-Fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)butyrophenone dihydrochloride

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1164-74-5

System Generated Number

  • 0001164745

Molecular Formulas

Molecular Formula

  • C20-H29-F-N2-O.2Cl-H

Molecular Formula Fragments

  • C20-H29-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29FN2O.2ClH/c1-22-13-8-20(9-14-22)10-15-23(16-11-20)12-2-3-19(24)17-4-6-18(21)7-5-17;;/h4-7H,2-3,8-16H2,1H3;2*1H

InChIKey

MHPSVUBTALLMNU-UHFFFAOYSA-N

Smiles

C12(CC[NH+](CCCC(c3ccc(F)cc3)=O)CC1)CC[NH+](C)CC2.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 62, 1965.