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Substance Name: Xylometazoline [INN:BAN]
RN: 526-36-3
UNII: WPY40FTH8K
InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Nasal Decongestants
  • Respiratory System Agents
  • Vasoconstrictor Agents

Molecular Formula

  • C16-H24-N2

Molecular Weight

  • 244.38
 

Names and Synonyms

Name of Substance

  • Xylometazoline
  • Xylometazoline [INN:BAN]

Synonyms

  • 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline
  • 5-23-07-00109 (Beilstein Handbook Reference)
  • Ba 11391
  • Ba-11391
  • BRN 0180524
  • EINECS 208-390-6
  • Otriven
  • Otrivin
  • Otrivine
  • Otrix
  • UNII-WPY40FTH8K
  • Xilometazolina
  • Xilometazolina [INN-Spanish]
  • Xylometazoline
  • Xylometazolinum
  • Xylometazolinum [INN-Latin]
  • Xylomethazoline

Systematic Names

  • 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro- (9CI)
  • 2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-
  • Xylometazoline

Registry Numbers

CAS Registry Number

  • 526-36-3

FDA UNII

  • WPY40FTH8K

Related Registry Number

  • 1218-35-5 (mono-hydrochloride)

System Generated Number

  • 0000526363

Structure Descriptors

InChI

1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)

InChIKey

HUCJFAOMUPXHDK-UHFFFAOYSA-N

Smiles

c1(c(cc(C(C)(C)C)cc1C)C)CC=1NCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 729, 1979.
mouse LD50 oral 215mg/kg (215mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 729, 1979.
mouse LD50 subcutaneous 63mg/kg (63mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 971, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 deg C   EXP
log P (octanol-water) 5.350 (none)   EST
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

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