Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Zolantidine
RN: 104076-38-2
UNII: M1108XAY01
InChIKey: KUBONGDXTUOOLM-UHFFFAOYSA-N

Classification Codes

  • Histamine Agents
  • Histamine Antagonists
  • Histamine H2 Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C22-H27-N3-O-S

Molecular Weight

  • 381.541
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Zolantidine

Synonyms

  • 2-(3-(3-(Piperidinomethyl)phenoxy)propylamino)benzothiazole
  • SK&F 95282
  • SK&F-95282
  • SKF 95282
  • SKF-95282
  • UNII-M1108XAY01

Systematic Name

  • 2-Benzothiazolamine, N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-

Registry Numbers

CAS Registry Number

  • 104076-38-2

FDA UNII

  • M1108XAY01

System Generated Number

  • 0104076382

Structure Descriptors

InChI

1S/C22H27N3OS/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24)

InChIKey

KUBONGDXTUOOLM-UHFFFAOYSA-N

Smiles

s1c2ccccc2nc1NCCCOc1cc(CN2CCCCC2)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.41 (none)   EXP
Water Solubility 0.972 mg/L 25 EST
Vapor Pressure 1.10E-10 mm Hg 25 EST
Henry's Law Constant 1.25E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.29E-10 cm3/molecule-sec 25 EST

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