Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Spasmolytol
RN: 25333-96-4
UNII: 5148882V83
InChIKey: NPKOWFSBIXNSIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-Br2-N-O2

Molecular Weight

  • 395.133
 
* 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

  • Spasmolytol

Synonyms

  • 2-(3,5-Dibromo-2-methoxybenzyloxy)triethylamine
  • 4-06-00-05904 (Beilstein Handbook Reference)
  • BRN 3345957
  • Ethanamine, 2-((3,5-dibromo-2-methoxyphenyl)methoxy)-N,N-diethyl-
  • Spasmolytol
  • UNII-5148882V83

Systematic Name

  • Triethylamine, 2-(3,5-dibromo-2-methoxybenzyloxy)-

Registry Numbers

CAS Registry Number

  • 25333-96-4

FDA UNII

  • 5148882V83

System Generated Number

  • 0025333964

Structure Descriptors

InChI

1S/C14H21Br2NO2/c1-4-17(5-2)6-7-19-10-11-8-12(15)9-13(16)14(11)18-3/h8-9H,4-7,10H2,1-3H3

InChIKey

NPKOWFSBIXNSIE-UHFFFAOYSA-N

Smiles

c1(c(c(Br)cc(c1)Br)OC)COCCN(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 210, 1957.
mouse LD50 oral 212mg/kg (212mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 210, 1957.
rat LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 210, 1957.
rat LD50 oral 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 210, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.320 (none)   EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

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