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Duloxetine IMpurity A

Duloxetine IMpurity A structure

CAS No:
947686-09-1
Formula:
C25H23NO3S
Chemical Name:
Duloxetine IMpurity A
Synonyms:
N-Methyl-N-[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]carbaMic Acid Phenyl Ester;phenyl (S)-methyl(3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl)carbamate;Duloxetine IMpurity A;Duloxetine Phenyl CarbaMate
Categories:
Analytical Chemistry > Standard

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Duloxetine IMpurity A Basic Attributes

Molecular Weight：

417.52002

Exact Mass：

417.14000

Characteristics

PSA：

67.01000

XLogP3：

6.54230

Density：

1.237±0.06 g/cm3 (20 °C, 760 mmHg)

Boiling Point：

589.9±50.0 °C (760 mmHg)

Duloxetine IMpurity A Use and Manufacturing

Duloxetine Phenyl Carbamate is a degradation product of Duloxetine (D721000). Duloxetine impurity A.

Computed Properties

Molecular Weight:417.5
XLogP3:6.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:417.13986477
Monoisotopic Mass:417.13986477
Topological Polar Surface Area:67
Heavy Atom Count:30
Complexity:539
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes