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Substance Name: 1-Undecanaminium, N-(3-carboxypropyl)-N,N-dimethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-, hydroxide, inner salt
RN: 145441-33-4
InChIKey: LSDGCEUAYZBYAI-UHFFFAOYSA-N

Molecular Formula

  • C17-H18-F17-N-O2

Molecular Weight

  • 591.3002
 
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Names and Synonyms

Synonym

  • N,N-Dimethyl-N-(3-F-octylpropyl)-4-ammoniobutanoate

Systematic Name

  • 1-Undecanaminium, N-(3-carboxypropyl)-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

  • 145441-33-4

System Generated Number

  • 0145441334

Structure Descriptors

InChI

1S/C17H18F17NO2/c1-35(2,7-3-5-9(36)37)8-4-6-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h3-8H2,1-2H3

InChIKey

LSDGCEUAYZBYAI-UHFFFAOYSA-N

Smiles

C[N+](C)(CCCC(=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 125mg/kg (125mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 891, 1992.