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Substance Name: Benzilonium bromide [USAN:INN:BAN]
RN: 1050-48-2
UNII: EMB5M4GMHP
InChIKey: GGMMWVHTLAENAS-UHFFFAOYSA-M

Classification Codes

  • Anticholinergic
  • Drug / Therapeutic Agent

Molecular Formulas

  • C22-H28-Br-N-O3
  • C22-H28-N-O3.Br

Molecular Weight

  • 434.371
 
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Names and Synonyms

Name of Substance

  • Benzilonium bromide
  • Benzilonium bromide [USAN:INN:BAN]

Synonyms

  • 1,1-Diaethyl-3-hydroxy-pyrrolidin-bromid-benzylat-ester
  • 1,1-Diaethyl-3-hydroxy-pyrrolidin-bromid-benzylat-ester [German]
  • 1,1-Diethyl-3-((hydroxydiphenylacetyl)oxy)pyrrolidinium bromide
  • 1,1-Diethyl-3-hydroxy pyrrolidinium benzil bromide
  • 1,1-Diethyl-3-hydroxypyrrolidinium benzilate bromide
  • 1,1-Diethyl-3-hydroxypyrrolidinium bromide benzilate
  • 1-Ethyl-3-pyrrolidinyl benzilate ethyl bromide
  • 3-Benziloxy-1,1-diethylpyrrolidinium bromide
  • Benzilic acid, 1-ethyl-3-pyrrolidinyl ester ethyl bromide
  • Benzilone
  • Benzilonii bromidum
  • Benzilonii bromidum [INN-Latin]
  • Benzilonium bromide
  • Bromure de benzilonium
  • Bromure de benzilonium [INN-French]
  • Bromuro de bencilonio
  • Bromuro de bencilonio [INN-Spanish]
  • CI-379
  • Cl 379
  • CN-20,172-3
  • EINECS 213-885-5
  • H 641
  • Minelcin
  • Minelco
  • Minelsin
  • N-Ethyl-3-pyrrolidinyl benzilate ethyl bromide
  • NSC 107530
  • Ortyn
  • Ortyn retard
  • Partyn
  • Pirbenina
  • Portyn
  • PU-239
  • Pyrbenine
  • Pyrrolidinium, 1,1-diethyl-3-((hydroxydiphenyacetyl)oxy)-, bromide
  • Pyrrolidinium, 1,1-diethyl-3-((hydroxydiphenylacetyl)oxy)-, bromide
  • Ulcoban
  • UNII-EMB5M4GMHP

Systematic Names

  • 1,1-Diethyl-3-hydroxypyrrolidinium bromide benzilate
  • Benzilonium bromide
  • Pyrrolidinium, 1,1-diethyl-3-((hydroxydiphenylacetyl)oxy)-, bromide
  • Pyrrolidinium, 1,1-diethyl-3-hydroxy-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 1050-48-2

FDA UNII

  • EMB5M4GMHP

System Generated Number

  • 0001050482

Molecular Formulas

Molecular Formulas

  • C22-H28-Br-N-O3
  • C22-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1

InChIKey

GGMMWVHTLAENAS-UHFFFAOYSA-M

Smiles

C1C[N+](CC)(CC)C[C@@H]1OC(=O)C(c1ccccc1)(c1ccccc1)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 138mg/kg (138mg/kg)   Therapie. Vol. 19, Pg. 673, 1964.
mouse LD50 intravenous 11200ug/kg (11.2mg/kg)   Therapie. Vol. 19, Pg. 673, 1964.
mouse LD50 oral 363mg/kg (363mg/kg)   Therapie. Vol. 19, Pg. 673, 1964.
rat LD50 oral 760mg/kg (760mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Therapie. Vol. 19, Pg. 673, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 203.5 deg C   EXP
log P (octanol-water) -0.320 (none)   EST
Atmospheric OH Rate Constant 4.40E-11 cm3/molecule-sec 25 EST

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