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Substance Name: Cetylpyridinium chloride [INN]
RN: 123-03-5
UNII: 6BR7T22E2S
InChIKey: YMKDRGPMQRFJGP-UHFFFAOYSA-M

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Germicide, Bactericide, Disinfectant
  • Skin / Eye Irritant

Molecular Formula

  • C21-H38-N.Cl

Molecular Weight

  • 339.991
 
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Names and Synonyms

Results Name

  • Cetylpyridinium chloride [INN]

Name of Substance

  • 1-Hexadecylpyridinium chloride
  • Cetylpyridinium chloride
  • Cetylpyridinium chloride anhydrous
  • Cetylpyridinium chloride [INN]
  • Pyridinium, 1-hexadecyl-, chloride
  • Tserigel

Synonyms

  • 1-Cetylpyridinium chloride
  • 1-Hexadecylpyridinium chloride
  • 1-Palmitylpyridinium chloride
  • Acetoquat CPC
  • AI3-15070
  • Aktivex
  • Ammonyx CPC
  • Biosept
  • Caswell No. 166A
  • Ceeprin chloride
  • Ceepryn chloride
  • Cepacol
  • Cepacol chloride
  • Ceprim
  • Cetamium
  • Cetilpiridinio cloruro
  • Cetilpiridinio cloruro [DCIT]
  • Cetyl pyridinium chloride
  • Cetylpyridini chloridum
  • Cetylpyridinii chloridum
  • Cetylpyridinii chloridum [INN-Latin]
  • Cetylpyridinium chloride
  • Chlorure de cetylpyridinium
  • Chlorure de cetylpyridinium [INN-French]
  • Cloruro de cetilpiridinio
  • Cloruro de cetilpiridinio [INN-Spanish]
  • Dobendan
  • EINECS 204-593-9
  • EPA Pesticide Chemical Code 069160
  • Fixanol C
  • Hexadecylpyridinium chloride
  • HSDB 38
  • Intexsan CPC
  • Medilave
  • Merocet
  • N-Cetylpyridinium chloride
  • N-Hexadecylpyridinium chloride
  • NB 002
  • NSC 14864
  • Pristacin
  • Pyrisept
  • Quaternario CPC
  • Swabettes Hoechst
  • Tserigel
  • UNII-6BR7T22E2S

Systematic Names

  • Cetylpyridinium chloride
  • Pyridinium, 1-hexadecyl-, chloride
  • Pyridinium, 1-hexadecyl-, chloride (1:1)

Superlist Name

  • Cetyl pyridinium chloride

Registry Numbers

CAS Registry Number

  • 123-03-5

FDA UNII

  • 6BR7T22E2S

Other Registry Numbers

  • 136499-13-3
  • 27841-61-8
  • 50958-35-5
  • 951742-58-8

System Generated Number

  • 0000123035

Molecular Formulas

Molecular Formula

  • C21-H38-N.Cl

Molecular Formula Fragments

  • C21-H38-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

InChIKey

YMKDRGPMQRFJGP-UHFFFAOYSA-M

Smiles

[ClH-].[n+]1(ccccc1)CCCCCCCCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD oral > 500mg/kg (500mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
dog LD oral > 500mg/kg (500mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Journal of Biological Standardization. Vol. 1, Pg. 87, 1973.
mouse LD50 oral 108mg/kg (108mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 120, Pg. 511, 1965.
rabbit LD50 intravenous 36mg/kg (36mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 208, 1966.
rabbit LD50 oral 400mg/kg (400mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 208, 1966.
rabbit LD50 subcutaneous 300mg/kg (300mg/kg)   Drugs in Japan Vol. -, Pg. 544, 1990.
rabbit LDLo skin 2gm/kg (2000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
rat LC50 inhalation 90mg/m3/4H (90mg/m3)   Food and Chemical Toxicology. Vol. 29, Pg. 851, 1991.
rat LC50 inhalation 90mg/m3/4H (90mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE
Food and Chemical Toxicology. Vol. 29, Pg. 851, 1991.
rat LD50 intraperitoneal 6mg/kg (6mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 89, 1946.
rat LD50 oral 200mg/kg (200mg/kg)   Yakkyoku. Pharmacy. Vol. 31, Pg. 471, 1980.
rat LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 89, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80 deg C   EXP
log P (octanol-water) 1.71 (none)   EXP
Henry's Law Constant 1.05E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-11 cm3/molecule-sec 25 EST

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