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Substance Name: Icotidine [USAN]
RN: 71351-79-6
UNII: 25Y9G9575K
InChIKey: GJCSPRIRQYWXRW-UHFFFAOYSA-N

Classification Code

  • Antagonist (to Histamine H2 and H1 Receptors)

Molecular Formula

  • C21-H25-N5-O2

Molecular Weight

  • 379.461
 
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Names and Synonyms

Name of Substance

  • Icotidine [USAN]

Synonyms

  • 2-((4-(3-Methoxy-2-pyridyl)butyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4(1H)-pyrimidinone
  • 4(1H)-Pyrimidinone, 2-((4-(3-methoxy-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • Icotidine
  • SK&F 93319
  • UNII-25Y9G9575K

Systematic Name

  • 4(1H)-Pyrimidinone, 2-((4-(3-methoxy-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-

Registry Numbers

CAS Registry Number

  • 71351-79-6

FDA UNII

  • 25Y9G9575K

System Generated Number

  • 0071351796

Structure Descriptors

InChI

1S/C21H25N5O2/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27)

InChIKey

GJCSPRIRQYWXRW-UHFFFAOYSA-N

Smiles

c1(ncccc1OC)CCCCNc1[nH]cc(c(n1)=O)Cc1cnc(cc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.58 (none)   EXP
Water Solubility 512 mg/L 25 EST
Vapor Pressure 3.82E-14 mm Hg 25 EST
Henry's Law Constant 3.57E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.67E-10 cm3/molecule-sec 25 EST

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