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Substance Name: 4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate
RN: 70206-24-5
UNII: V011H4CFOX
InChIKey: ASOLQNQTXIEOPJ-YIQDKWKASA-N

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Weight

  • 740.1839
 
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Names and Synonyms

Name of Substance

  • 4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate

Synonyms

  • 2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-oleyl)amino)ethyl)-1H-imidazolium methyl sulfate
  • EINECS 274-381-9
  • UNII-V011H4CFOX

Systematic Names

  • (Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate
  • 1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-, (Z,Z)-, methyl sulfate
  • 1H-Imidazolium, 2-(8Z)-8-heptadecenyl-4,5-dihydro-1-methyl-1-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, methyl sulfate

Superlist Name

  • Alkyl imidazolinium methyl sulfate (derived from oleic acid)

Registry Numbers

CAS Registry Number

  • 70206-24-5

FDA UNII

  • V011H4CFOX

System Generated Number

  • 0070206245

Molecular Formulas

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C41-H78-N3-O
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18-,21-19-;

InChIKey

ASOLQNQTXIEOPJ-YIQDKWKASA-N

Smiles

CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\C=C/CCCCCCCC.COS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 24436mg/kg (24436mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0542159,