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Substance Name: Pipenzolate bromide [INN:BAN]
RN: 125-51-9
UNII: JPX41DUS2B
InChIKey: XEDCWWFPZMHXCM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N-O3.Br

Molecular Weight

  • 434.3712
 
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Names and Synonyms

Name of Substance

  • Pipenzolate bromide [INN:BAN]

Synonyms

  • 1-Ethyl-3-hydroxy-1-methyl-piperidinium bromide benzilate
  • 1-Ethyl-3-piperidyl benzilate methylbromide
  • Benzilic acid, 1-ethyl-3-piperidyl ester methylbromide
  • Benzilic acid, ester with 1-ethyl-3-hydroxy-1-methylpiperidinium bromide
  • Bromure de pipenzolate
  • Bromure de pipenzolate [INN-French]
  • Bromuro de pipenzolato
  • Bromuro de pipenzolato [INN-Spanish]
  • EINECS 204-741-2
  • JB-323
  • N-Ethyl-3-piperidylbenzilate methobromide
  • NEPB Br
  • NSC 4347
  • Pipenzolate bromide
  • Pipenzolate methobromide
  • Pipenzolate methyl bromide
  • Pipenzolate methylbromide
  • Pipenzolati bromidum
  • Pipenzolati bromidum [INN-Latin]
  • Pipenzolato bromuro
  • Pipenzolato bromuro [DCIT]
  • Piper
  • Piptal
  • Piptal (tablet)
  • Piptalake
  • Piptil
  • QPB
  • UNII-JPX41DUS2B

Systematic Names

  • 1-Ethyl-3-hydroxy-1-methylpiperidinium bromide benzilate
  • Pipenzolate bromide
  • Piperidinium, 1-ethyl-3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide (9CI)
  • Piperidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 125-51-9

FDA UNII

  • JPX41DUS2B

Related Registry Number

  • 13473-38-6 (Parent)

System Generated Number

  • 0000125519

Molecular Formulas

Molecular Formula

  • C22-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1

InChIKey

XEDCWWFPZMHXCM-UHFFFAOYSA-M

Smiles

CC[N+]1(CCCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 112, Pg. 64, 1954.
guinea pig LD50 intravenous 22mg/kg (22mg/kg)   Compilation of LD50 Values of New Drugs.
guinea pig LD50 oral > 500mg/kg (500mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral 1140mg/kg (1140mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intravenous 18mg/kg (18mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969.
rat LD50 oral 916mg/kg (916mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969.
rat LD50 subcutaneous 904mg/kg (904mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 179.5 deg C   EXP
log P (octanol-water) -0.320 (none)   EST
Atmospheric OH Rate Constant 4.77E-11 cm3/molecule-sec 25 EST

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