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Substance Name: Diponium bromide [INN]
RN: 2001-81-2
UNII: 977A8K11XO
InChIKey: ADZXDFALMZGPTN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H38-Br-N-O2
  • C20-H38-N-O2.Br

Molecular Weight

  • 404.429
 
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Names and Synonyms

Results Name

  • Diponium bromide [INN]

Name of Substance

  • Dipenine bromide
  • Diponium bromide [INN]

Synonyms

  • (Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide
  • 2,2-Dicyclopentylacetic acid 2'-diethylaminoethyl ester ethobromide
  • 2-((Dicyclopentylacetoxy)ethyl)triethylammonium bromide
  • Acetic acid, dicyclopentyl-, diethylaminoethyl ester, ethylbromide
  • Aethobromid des alpha,alpha-dicyclopentylessigsaeure-beta'-diaethylaminoaethylester
  • Aethobromid des alpha,alpha-dicyclopentylessigsaeure-beta'-diaethylaminoaethylester [German]
  • beta-(Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide
  • Bromure de diponium
  • Bromure de diponium [INN-French]
  • Bromuro de diponio
  • Bromuro de diponio [INN-Spanish]
  • Dicyclopentylacetic acid beta-diethylaminoethyl ester ethobromide
  • Diethylaminoethyl alpha,alpha-dicyclopentylacetate ethobromide
  • Dipeninbromid
  • Dipeninbromid [German]
  • Dipenine bromide
  • Diponii bromidum
  • Diponii bromidum [INN-Latin]
  • Diponium bromide
  • EINECS 217-891-9
  • HL 267
  • Sa 267
  • SA-267
  • Spaston
  • Triethyl(2-hydroxyethyl)-ammonium bromide, dicyclopentylacetate
  • UNII-977A8K11XO
  • Unospaston

Systematic Names

  • 2-((Dicyclopentylacetyl)oxy)-N,N,N-triethyl-ethanaminium bromide (9CI)
  • Ammonium, (2-hydroxyethyl)triethyl-, bromide, dicyclopentylacetate
  • Ammonium, triethyl(2-hydroxyethyl)-, bromide, dicyclopentylacetate (8CI)
  • Diponium bromide
  • Ethanaminium, 2-((dicyclopentylacetyl)oxy)-N,N,N-triethyl-, bromide
  • Triethyl(2-hydroxyethyl)ammonium bromide dicyclopentylacetate

Registry Numbers

CAS Registry Number

  • 2001-81-2

FDA UNII

  • 977A8K11XO

Related Registry Number

  • 58875-33-5 (Parent)

System Generated Number

  • 0002001812

Molecular Formulas

Molecular Formulas

  • C20-H38-Br-N-O2
  • C20-H38-N-O2.Br

Molecular Formula Fragments

  • Br
  • C20-H38-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1

InChIKey

ADZXDFALMZGPTN-UHFFFAOYSA-M

Smiles

C1CCC(C(C(OCC[N+](CC)(CC)CC)=O)C2CCCC2)C1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 88mg/kg (88mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 911, 1960.
mouse LD50 intravenous 570mg/kg (570mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 911, 1960.
mouse LD50 oral 6200ug/kg (6.2mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 911, 1960.
mouse LD50 subcutaneous 80mg/kg (80mg/kg)   Drugs in Japan Vol. 6, Pg. 350, 1982.
rat LD50 intraperitoneal 84400ug/kg (84.4mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 70, 1968.
rat LD50 intravenous 6600ug/kg (6.6mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 878, 1965.
rat LD50 oral 780mg/kg (780mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 878, 1965.
rat LD50 subcutaneous 299mg/kg (299mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 70, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185.5 deg C   EXP
log P (octanol-water) 2.490 (none)   EST
Atmospheric OH Rate Constant 5.18E-11 cm3/molecule-sec 25 EST

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