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LabetalolIMpurityB

LabetalolIMpurityB structure

LabetalolIMpurityB 

structure
  • CAS No:

    802620-01-5

  • Formula:

    C20H25NO4

  • Chemical Name:

    LabetalolIMpurityB

  • Synonyms:

    2-Hydroxy-5-[1-hydroxy-2-[(1-Methyl-3-phenylpropyl)aMino]ethyl]benzoic Acid Methyl Ester;5-[1-Hydroxy-2-[(1-Methyl-3-phenylpropyl)aMino]ethyl]salicylic Acid Methyl Ester;Labetalol IMpurity B;Labetalol-1-carboxylic Acid Methyl Ester;Methyl 2-Hydroxy-5-[1-hydroxy-2-[(1-Methyl-3-phenylpropyl)aMino]ethyl]benzoate;Labetalol EP impurity B;labetalol-1-carboxylic acid methyl ester HCl;Labetal-1-carboxylicacid methyl ester

LabetalolIMpurityB Basic Attributes

343.42

343.17835828

GBD0X30YEG

DTXSID40857914

Characteristics

78.79000

3.21400

1.173±0.06 g/cm3

526.6±50.0 °C(Predicted)

9.81±0.31

LabetalolIMpurityB Use and Manufacturing

Labetalol-1-carboxylic Acid Methyl Ester is an impurity of the α-and β-adrenergic, Labetalol (L096500).

Computed Properties

Molecular Weight:343.4
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:343.17835828
Monoisotopic Mass:343.17835828
Topological Polar Surface Area:78.8
Heavy Atom Count:25
Complexity:397
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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