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Substance Name: N,N-Dimethyl-N-(3-F-octylpropyl)-5-ammoniopentanoate
RN: 145441-34-5
InChIKey: WKKDKWOQDJGHBD-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-F17-N-O2

Molecular Weight

  • 605.327
 
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Names and Synonyms

Results Name

  • N,N-Dimethyl-N-(3-F-octylpropyl)-5-ammoniopentanoate

Synonym

  • N,N-Dimethyl-N-(3-F-octylpropyl)-5-ammoniopentanoate

Systematic Name

  • 1-Undecanaminium, N-(4-carboxybutyl)-N,N-dimethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 145441-34-5

System Generated Number

  • 0145441345

Structure Descriptors

InChI

1S/C18H20F17NO2/c1-36(2,8-4-3-6-10(37)38)9-5-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h3-9H2,1-2H3

InChIKey

WKKDKWOQDJGHBD-UHFFFAOYSA-N

Smiles

C[N+](C)(CCCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 891, 1992.