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Substance Name: Quinisocaine [INN:BAN]
RN: 86-80-6
UNII: 772EN3BH6I
InChIKey: XNMYNYSCEJBRPZ-UHFFFAOYSA-N

Classification Codes

  • Anesthetics
  • Anesthetics, Local
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Peripheral Nervous System Agents
  • Sensory System Agents

Molecular Formula

  • C17-H24-N2-O

Molecular Weight

  • 272.39
 
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Names and Synonyms

Name of Substance

  • Dimethisoquin
  • Quinisocaine [INN:BAN]

Synonyms

  • 1-(2-Dimethylaminoethoxy)-3-butylisochinolin
  • 3-Butyl-1-(2-dimethylaminoethoxy)isoquinoline
  • 5-21-03-00414 (Beilstein Handbook Reference)
  • BRN 0018179
  • Chinisocain
  • Chinisocainum
  • Dimethisoquin
  • EINECS 201-700-0
  • Ethanamine, 2-((3-butyl-1-isoquinolinyl)oxy)-N,N-dimethyl-
  • Histaderme
  • Isochinol
  • Prulantex
  • Pruralgan
  • Pruralgin
  • Quinisocain
  • Quinisocaina
  • Quinisocaina [INN-Spanish]
  • Quinisocaine
  • Quinisocainum
  • Quinisocainum [INN-Latin]
  • Quinoleine
  • UNII-772EN3BH6I

Systematic Names

  • Isoquinoline, 3-butyl-1-(2-(dimethylamino)ethoxy)-
  • Quinisocaine

Registry Numbers

CAS Registry Number

  • 86-80-6

FDA UNII

  • 772EN3BH6I

Related Registry Number

  • 2773-92-4 (hydrochloride)

System Generated Number

  • 0000086806

Structure Descriptors

InChI

1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3

InChIKey

XNMYNYSCEJBRPZ-UHFFFAOYSA-N

Smiles

c12c(cc(CCCC)nc1OCCN(C)C)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8mg/kg (8mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 729, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
log P (octanol-water) 4.400 (none)   EST
Atmospheric OH Rate Constant 1.87E-10 cm3/molecule-sec 25 EST

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