Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibutoline sulfate
RN: 532-49-0
UNII: 1W7R63X54A
InChIKey: YRPPIMNBOSCROA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C15-H33-N2-O2.1/2O4-S
  • C30-H66-N4-O4.O4-S

Molecular Weight

  • 642.937
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dibutoline sulfate

Synonyms

  • (2-Dibutylcarbamyloxyethyl)dimethylethylammoniumsulfate
  • Bis((dibutylcarbamate) of ethyl(2-hydroxyethyl)dimethylammonium)
  • Di-n-butyl-carbamylcholine sulphate
  • Dibuline sulfate
  • Dibutoline sulfate
  • Dimethyl-ethyl-beta-hydroxyethyl-ammonium-sulfate di-n-butylcarbamate
  • Dimethylethyl-beta-hydroxyethylammonium sulfate dibutylurethan
  • NSC 42177
  • UNII-1W7R63X54A

Systematic Names

  • Ammonium, ethyl(2-hydroxyethyl)dimethyl-, dibutylcarbamate (ester), sulfate (2:1)
  • Ammonium, ethyl(2-hydroxyethyl)dimethyl-, sulfate (salt), bis(dibutylcarbamate)
  • Ethanaminium, 2-(((dibutylamino)carbonyl)oxy)-N-ethyl-N,N-dimethyl-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 532-49-0

FDA UNII

  • 1W7R63X54A

Other Registry Number

  • 124129-35-7

Related Registry Number

  • 21962-82-3 (Parent)

System Generated Number

  • 0000532490

Molecular Formulas

Molecular Formulas

  • C15-H33-N2-O2.1/2O4-S
  • C30-H66-N4-O4.O4-S

Molecular Formula Fragments

  • C15-H33-N2-O2
  • C30-H66-N4-O4
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C15H33N2O2.H2O4S/c2*1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3;1-5(2,3)4/h2*6-14H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

YRPPIMNBOSCROA-UHFFFAOYSA-L

Smiles

N(C(OCC[N+](CC)(C)C)=O)(CCCC)CCCC.S([O-])(=O)(=O)[O-].N(C(OCC[N+](CC)(C)C)=O)(CCCC)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 49mg/kg (49mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intraperitoneal 22mg/kg (22mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 105, 1945.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.180 (none)   EST
Atmospheric OH Rate Constant 1.06E-10 cm3/molecule-sec 25 EST

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