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Substance Name: Isoquinolinium, 3,4-dihydro-1-(4-ethoxy-4-oxobutyl)-2,3,3-trimethyl-, tetrafluoroborate(1-)-
RN: 121064-26-4
InChIKey: VEUIREIMZAXDGY-UHFFFAOYSA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N-O2.B-F4

Molecular Weight

  • 375.2114
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-1-(4-ethoxy-4-oxobutyl)-2,3,3-trimethyl-isoquinolinium tetrafluoroborate(1-)

Systematic Name

  • Isoquinolinium, 3,4-dihydro-1-(4-ethoxy-4-oxobutyl)-2,3,3-trimethyl-, tetrafluoroborate(1-)-

Registry Numbers

CAS Registry Number

  • 121064-26-4

System Generated Number

  • 0121064264

Molecular Formulas

Molecular Formula

  • C18-H26-N-O2.B-F4

Molecular Formula Fragments

  • B-F4
  • C18-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26NO2.B.4FH/c1-5-21-17(20)12-8-11-16-15-10-7-6-9-14(15)13-18(2,3)19(16)4;;;;;/h6-7,9-10H,5,8,11-13H2,1-4H3;;4*1H/q+1;+3;;;;/p-4

InChIKey

VEUIREIMZAXDGY-UHFFFAOYSA-J

Smiles

[B+3].CCOC(=O)CCCC1=[N+](C(Cc2c1cccc2)(C)C)C.[F-].[F-].[F-].[F-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 23, Pg. 52, 1989.