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Substance Name: Demecarium bromide [USP:INN:BAN]
RN: 56-94-0
UNII: 61D5V4OKTP
InChIKey: YHKBUDZECQDYBR-UHFFFAOYSA-L

Classification Codes

  • Cholinergic (Ophthalmic)
  • Cholinergic Agents
  • Cholinesterase Inhibitors
  • Enzyme Inhibitors
  • Neurotransmitter Agents

Molecular Formula

  • C32-H52-N4-O4.2Br

Molecular Weight

  • 716.5948
 
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Names and Synonyms

Name of Substance

  • Demecarium bromide
  • Demecarium bromide [USP:INN:BAN]

Synonyms

  • (m-Hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate)
  • (m-Hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate) (2:1)
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis(methylcarbamate) (2:1)
  • BC 48
  • Benzenaminium, 3,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-, dibromide
  • Bromure de demecarium
  • Bromure de demecarium [INN-French]
  • Bromuro de demecario
  • Bromuro de demecario [INN-Spanish]
  • Decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate) dimethobromide
  • Decamethylenebis(N-methylcarbamic acid m-dimethylaminophenyl ester) bromomethylate
  • Demecarii bromidum
  • Demecarii bromidum [INN-Latin]
  • Demecarium bromide
  • Demekarium bromide
  • Demekastigmine bromide
  • EINECS 200-301-9
  • Frumtosnil
  • HSDB 2168
  • Humorsol
  • N,N'-Bis(3-trimethylammoniumphenoxycarbonyl)-N,N'-dimethyldecamethylenediamine dibromide
  • Tonilen
  • Tosmicil
  • Tosmilen
  • Tosmilene
  • UNII-61D5V4OKTP
  • Visumatic
  • Visumiotic

Systematic Names

  • (m-Hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate) (7CI)
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis(methylcarbamate)
  • Benzenaminium, 3,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-, dibromide
  • Demecarium bromide

Registry Numbers

CAS Registry Number

  • 56-94-0

FDA UNII

  • 61D5V4OKTP

System Generated Number

  • 0000056940

Molecular Formulas

Molecular Formula

  • C32-H52-N4-O4.2Br

Molecular Formula Fragments

  • Br
  • C32-H52-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

YHKBUDZECQDYBR-UHFFFAOYSA-L

Smiles

[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29ug/kg (0.029mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 128, Pg. 307, 1960.
mouse LD50 oral 6490ug/kg (6.49mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
mouse LD50 subcutaneous 24500ug/kg (24.5mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.750 (none)   EST
Atmospheric OH Rate Constant 5.14E-11 cm3/molecule-sec 25 EST

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