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Substance Name: Pentamethonium bromide [INN:BAN]
RN: 541-20-8
UNII: 0UX03A6JJC
InChIKey: GJVFBWCTGUSGDD-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H28-N2.2Br

Molecular Weight

  • 348.164
 
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Names and Synonyms

Name of Substance

  • Pentamethonium bromide [INN:BAN]

Synonyms

  • AI3-20833
  • alpha,omega-Bis(trimethylammonium)pentane dibromide
  • Bromure de pentamethonium
  • Bromure de pentamethonium [INN-French]
  • Bromuro de pentametonio
  • Bromuro de pentametonio [INN-Spanish]
  • C 5
  • C 5 (VAN)
  • EINECS 208-771-7
  • Lytensium
  • NSC 148343
  • Pentamethonii bromidum
  • Pentamethonii bromidum [INN-Latin]
  • Pentamethonium bromide
  • Pentamethonium dibromide
  • Pentamethylenebis(trimethylammonium bromide)
  • Pentametonio bromuro
  • Pentametonio bromuro [DCIT]
  • Penthonium
  • UNII-0UX03A6JJC

Systematic Names

  • 1,5-Pentanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromide (9CI)
  • Ammonium, pentamethylenebis(trimethyl-, dibromide
  • Pentamethonium bromide
  • Pentamethylenebis(trimethylammonium bromide)

Registry Numbers

CAS Registry Number

  • 541-20-8

FDA UNII

  • 0UX03A6JJC

Related Registry Number

  • 2365-25-5 (Parent)

System Generated Number

  • 0000541208

Molecular Formulas

Molecular Formula

  • C11-H28-N2.2Br

Molecular Formula Fragments

  • Br
  • C11-H28-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

GJVFBWCTGUSGDD-UHFFFAOYSA-L

Smiles

C([N+](C)(C)C)CCCC[N+](C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62mg/kg (62mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 534, 1952.
rat LD50 intraperitoneal 78mg/kg (78mg/kg)   Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 21, Pg. 256, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 301 deg C   EXP
log P (octanol-water) -7.230 (none)   EST
Atmospheric OH Rate Constant 3.32E-11 cm3/molecule-sec 25 EST

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