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Substance Name: Hexetidine [INN:BAN]
RN: 141-94-6
UNII: 852A84Y8LS
InChIKey: DTOUUUZOYKYHEP-UHFFFAOYSA-N

Note

  • A bactericidal and fungicidal antiseptic. It is used as a 0.1% mouthwash for local infections and oral hygiene. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)

Molecular Formula

  • C21-H45-N3

Molecular Weight

  • 339.6075
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antifungal Agents
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Names and Synonyms

Name of Substance

  • 1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidiamine
  • 5-Amino-1,3-bis(2-ethylhexyl)-5-methyl-hexhydropyrimidine
  • 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • Hexetidine
  • Hexetidine [INN:BAN]

MeSH Heading

  • Hexetidine

Synonyms

  • 1,3-Bis(2-ethylhexyl)-5-amino-hexahydro-5-methylpyrimidin
  • 5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine
  • AI3-15546
  • Caswell No. 033BB
  • Collu hextril
  • Collu-Hextril
  • Drossadin
  • Duranil Aerosol
  • EINECS 205-513-5
  • Elsix
  • Glypesin
  • Hexetidina
  • Hexetidina [INN-Spanish]
  • Hexetidine
  • Hexetidinum
  • Hexetidinum [INN-Latin]
  • Hexoral
  • Hextril
  • HSDB 7828
  • NSC 17764
  • Oraldene
  • Oraseptic
  • P 252
  • Paradenyl
  • Steri/Sol (VAN)
  • Sterilate
  • Sterisil
  • Triocil
  • Triscol
  • UNII-852A84Y8LS

Systematic Names

  • 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine
  • 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • Hexetidine
  • Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl- (8CI)

Registry Numbers

CAS Registry Number

  • 141-94-6

FDA UNII

  • 852A84Y8LS

System Generated Number

  • 0000141946

Structure Descriptors

InChI

1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

InChIKey

DTOUUUZOYKYHEP-UHFFFAOYSA-N

Smiles

C1C(CN(CN1CC(CCCC)CC)CC(CCCC)CC)(C)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
pKa Dissociation Constant 8.3 (none)   EXP
log P (octanol-water) 5.260 (none)   EST
Atmospheric OH Rate Constant 2.95E-10 cm3/molecule-sec 25 EST

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