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OXYBUTYNIN IMPURITY A

OXYBUTYNIN IMPURITY A structure

OXYBUTYNIN IMPURITY A 

structure
  • CAS No:

    1199574-71-4

  • Formula:

    C22H31NO3

  • Chemical Name:

    OXYBUTYNIN IMPURITY A

  • Synonyms:

    OXYBUTYNIN IMPURITY A;α-Cyclohexyl-α-hydroxy-3-cyclohexene-1-acetic Acid 4-(DiethylaMino)-2-butyn-1-yl Ester;4-(Diethylamino)but-2-ynyl (RS)-2-(cyclohex-3-enyl)-2-cyclohexyl-2-hydroxyacetate

  • Categories:

    Analytical Chemistry  >  Standard

OXYBUTYNIN IMPURITY A Basic Attributes

357.48644

361.262

J6ALC99FKD

Characteristics

49.8

4.3

1.077±0.06 g/cm3(Predicted)

483.3±40.0 °C(Predicted)

OXYBUTYNIN IMPURITY A Use and Manufacturing

α-Cyclohexyl-α-hydroxy-3-cyclohexene-1-acetic Acid 4-(Diethylamino)-2-butyn-1-yl Ester is the cyclohexyl analog of Oxybutynin (O868525), an inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells.

Computed Properties

Molecular Weight:361.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:361.26169398
Monoisotopic Mass:361.26169398
Topological Polar Surface Area:49.8
Heavy Atom Count:26
Complexity:534
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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