Product Name

  • Name

    oxypyrronium bromide

  • EINECS
  • CAS No. 561-43-3
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C21H32 N O3 . Br
  • Boiling Point °Cat760mmHg
  • Molecular Weight 426.45
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Br−and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 561-43-3 (oxypyrronium bromide)
  • Hazard Symbols
  • Synonyms 2-(Hydroxymethyl)-1,1-dimethylpyrrolidiniumbromide, a-phenylcyclohexaneglycolate(6CI,7CI); Pyrrolidinium, 2-(hydroxymethyl)-1,1-dimethyl-, bromide, a-phenylcyclohexaneglycolate(8CI); Pyrrolidinium,2-[[(cyclohexylhydroxyphenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (9CI);2-(2-Hydroxyethyl)-1,1-dimethylpyrrolidinium bromide a-phenylcyclohexaneglycolate; BM3055; BRL 556; Imetro; Immetropan; LD 3055; Oxypyrronium; Oxypyrronium bromide
  • PSA
  • LogP

Oxypyrronium bromide Chemical Properties

Product Name: Oxypyrronium bromide (CAS NO.561-43-3)


Molecular Formula: C21H32BrNO3
Molecular Weight: 426.38768g/mol
Mol File: 561-43-3.mol
Einecs: 209-219-8
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Oxypyrronium bromide (CAS NO.561-43-3):
  IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl2-cyclohexyl-2-hydroxy-2-phenylacetate bromide
  Canonical SMILES: C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-]
  InChI: InChI=1S/C21H32NO3.BrH/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1 
  InChIKey: SXGOKQARVJHRML-UHFFFAOYSA-M

Oxypyrronium bromide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 147, Pg. 552, 1964.
mouse LD50 oral 1040mg/kg (1040mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 147, Pg. 552, 1964.
mouse LD50 subcutaneous 303mg/kg (303mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 147, Pg. 552, 1964.
rat LD50 intraperitoneal 125mg/kg (125mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
rat LD50 intravenous 27500ug/kg (27.5mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
rat LD50 oral 780mg/kg (780mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.

Oxypyrronium bromide Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Br−and NOx.

Oxypyrronium bromide Specification

 Oxypyrronium bromide ,its CAS NO. is 561-43-3,the synonyms is 1-Methyl-2-(pyrrolid-2-yl)methyl phenylcyclohexyl glycollate methobromide ; 2-((alpha-Cyclohexylmandeloyloxy)methyl)-1,1-dimethylpyrrolidiniumbromid ; 2-(2-Hydroxymethyl)-1,1-dimethyl)pyrrolidinium bromide alpha-phenylcyclohexaneglycolate ; BM 3055 ; Bromure d'oxypyrronium ; Bromuro de oxipirronio ; EINECS 209-219-8 ; Imetro ; Immetropan ; L.D. 3055 ; UNII-1D79RM7Q04 ; 2-(((Cyclohexylhydroxyphenylacetyl)oxy)methyl)-1,1-dimethylpyrrolidinium, bromide ; 2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium bromide alpha-phenylcyclohexaneglycolate ; Pyrrolidinium, 1,1-dimethyl-2-(hydroxymethyl),bromide, alphaphenylcyclohexaneglycolate .

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