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Substance Name: Temelastine [USAN:INN:BAN]
RN: 86181-42-2
UNII: BF6IGI53XH
InChIKey: OGEAASSLWZDQBM-UHFFFAOYSA-N

Classification Codes

  • Antihistaminic
  • Histamine Agents
  • Histamine Antagonists
  • Histamine H1 Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C21-H24-Br-N5-O

Molecular Weight

  • 442.359
 
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Names and Synonyms

Name of Substance

  • Temelastine
  • Temelastine [USAN:INN:BAN]

Synonyms

  • 2-((4-(5-Bromo-3-methyl-2-pyridyl)butyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4(1H)-pyrimidinone
  • 4(1H)-Pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • SK&F 93944
  • Temelastina
  • Temelastina [Spanish]
  • Temelastine
  • Temelastinum
  • Temelastinum [Latin]
  • UNII-BF6IGI53XH

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86181-42-2

FDA UNII

  • BF6IGI53XH

System Generated Number

  • 0086181422

Structure Descriptors

InChI

1S/C21H24BrN5O/c1-14-9-18(22)13-25-19(14)5-3-4-8-23-21-26-12-17(20(28)27-21)10-16-7-6-15(2)24-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,26,27,28)

InChIKey

OGEAASSLWZDQBM-UHFFFAOYSA-N

Smiles

c1(Cc2ccc(C)nc2)c(nc(NCCCCc2c(cc(Br)cn2)C)[nH]c1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.57 (none)   EXP
Atmospheric OH Rate Constant 1.62E-10 cm3/molecule-sec 25 EST

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