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Substance Name: Laurolinium acetate [INN:BAN]
RN: 146-37-2
UNII: R01EZP92PU
InChIKey: WFENCVFYUBXRSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H35-N2.C2-H3-O2

Molecular Weight

  • 386.576
 
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Names and Synonyms

Name of Substance

  • Laurolinium acetate [INN:BAN]

Synonyms

  • 1-Dodecyl-4-aminoquinaldinium acetate
  • 4-Amino-1-dodecyl-2-methylquinolinium acetate
  • 4-Amino-1-dodecylquinaldinium acetate
  • Acetate de laurolinium
  • Acetate de laurolinium [INN-French]
  • Acetato de laurolinio
  • Acetato de laurolinio [INN-Spanish]
  • EINECS 205-668-9
  • Laurodin
  • Laurolinii acetas
  • Laurolinii acetas [INN-Latin]
  • Laurolinium acetate
  • N-Dodecyl-4-aminoquinaldinium acetate
  • NSC 66214
  • Quinaldinium, N-dodecyl-4-amino-, acetate
  • UNII-R01EZP92PU

Systematic Names

  • 4-Amino-1-dodecylquinaldinium acetate
  • Laurolinium acetate
  • Quinaldinium, 4-amino-1-dodecyl-, acetate
  • Quinolinium, 4-amino-1-dodecyl-2-methyl-, acetate (9CI)

Registry Numbers

CAS Registry Number

  • 146-37-2

FDA UNII

  • R01EZP92PU

System Generated Number

  • 0000146372

Molecular Formulas

Molecular Formula

  • C22-H35-N2.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C22-H35-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)

InChIKey

WFENCVFYUBXRSH-UHFFFAOYSA-N

Smiles

[n+]1(c2c(cccc2)c(cc1C)N)CCCCCCCCCCCC.[O-]C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 129, 1963.
mouse LD50 intravenous 6mg/kg (6mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 129, 1963.
mouse LD50 oral 132mg/kg (132mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 129, 1963.
mouse LD50 subcutaneous 30mg/kg (30mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 129, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170.5 deg C   EXP
log P (octanol-water) 2.650 (none)   EST
Water Solubility 3.33E+05 mg/L 20 EXP
Atmospheric OH Rate Constant 2.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.