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Substance Name: Cetylpyridinium bromide
RN: 140-72-7
UNII: O77BKZ14DE
InChIKey: DVBJBNKEBPCGSY-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C21-H38-N.Br

Molecular Weight

  • 384.442
 
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Names and Synonyms

Name of Substance

  • Cetylpyridinium bromide

Synonyms

  • 1-Cetylpyridinium bromide
  • 1-Hexadecylpyridinium bromide
  • Acetoquat CPB
  • Bromocet
  • Caswell No. 166
  • Cetapharm
  • Cetasol
  • Cetazol
  • Cetazolin
  • Cetyl pyridinium bromide
  • Cetylpyridine bromide
  • Cetylpyridinium bromide
  • EINECS 205-428-3
  • EPA Pesticide Chemical Code 069118
  • Fixanol C
  • Hexadecylpyridine bromide
  • Hexadecylpyridinium bromide
  • Hexadecylpyridiniumbromide
  • HSDB 6859
  • Morpan CBP
  • N-Cetylpyridinium bromide
  • N-Hexadecylpyridinium bromide
  • Nitrogenol
  • NSC 8495
  • Seprisan
  • Sterogenal
  • Sterogenol
  • TsPB
  • UNII-O77BKZ14DE

Systematic Names

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

Superlist Name

  • Cetyl pyridinium bromide

Registry Numbers

CAS Registry Number

  • 140-72-7

FDA UNII

  • O77BKZ14DE

System Generated Number

  • 0000140727

Molecular Formulas

Molecular Formula

  • C21-H38-N.Br

Molecular Formula Fragments

  • Br
  • C21-H38-N
  • COMPONENT

Structure Descriptors

InChI

1S/C21H38N.BrH/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

DVBJBNKEBPCGSY-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 126mg/kg (126mg/kg)   Pharmazie. Vol. 40, Pg. 273, 1985.
mouse LDLo intraperitoneal 50mg/kg (50mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971.
rat LD skin > 7200uL/kg (7.2mL/kg)   Khigiena i Zdraveopazvane. Hygiene and Sanitation. Vol. 22, Pg. 148, 1979.
rat LD50 oral 475mg/kg (475mg/kg)   Khigiena i Zdraveopazvane. Hygiene and Sanitation. Vol. 22, Pg. 148, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.5 deg C   EXP

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