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Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1)

Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1) structure

CAS No:
561-43-3
Formula:
C21H32NO3.Br
Chemical Name:
Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1)
Synonyms:
Pyrrolidinium,2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-,bromide (1:1);Pyrrolidinium,2-(hydroxymethyl)-1,1-dimethyl-,bromide,α-phenylcyclohexaneglycolate;Pyrrolidinium,2-[[(cyclohexylhydroxyphenylacetyl)oxy]methyl]-1,1-dimethyl-,bromide;2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium bromide,α-phenylcyclohexaneglycolate;BRL 556;BM 3055;2-(2-Hydroxyethyl)-1,1-dimethylpyrrolidinium bromide α-phenylcyclohexaneglycolate;Immetropan;Oxypyrronium;Oxypyrronium bromide;Imetro;LD 3055
Categories:
Organic Chemistry > Amides

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Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1) Basic Attributes

Molecular Weight：

426.38800

Exact Mass：

425.15700

EC Number：

209-219-8

UNII：

1D79RM7Q04

Characteristics

PSA：

46.53000

XLogP3：

0.19930

Melting Point：

148-150 °C @ Solvent: 1,4-Dioxane

Toxicity：

LD50 oral in rat: 780mg/kg

Drug Information

MeSH Entry Terms：

1-methyl-2-pyrrolidylmethyl phenylcyclohexylglycolate

Computed Properties

Molecular Weight:426.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:425.15656
Monoisotopic Mass:425.15656
Topological Polar Surface Area:46.5
Heavy Atom Count:26
Complexity:452
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1)

Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

Pyrrolidinium, 2-[[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]methyl]-1,1-dimethyl-, bromide (1:1)

SDS

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