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Name	Oxypyrronium bromide	EINECS	N/A
CAS No.	561-43-3	Density	g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C21H32 N O3 . Br	Boiling Point	°Cat760mmHg
Molecular Weight	426.45	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Br⁻and NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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

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)	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 NO_x.

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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