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(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione

(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione structure

CAS No:
3107-69-5
Formula:
C21H25FO6
Chemical Name:
(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione
Synonyms:
(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione;Pregna-1,4-diene-3,11,20-trione, 9-fluoro-16,17,21-trihydroxy-, (16α)-;(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione

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(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione Basic Attributes

Molecular Weight：

392.42

Exact Mass：

392.16351668

Characteristics

Density：

1.42±0.1 g/cm3

Melting Point：

204-206 °C

Boiling Point：

581.6±50.0 °C(Predicted)

PKA：

11.47±0.70

(16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione Use and Manufacturing

Triamcinolone (T767160) metabolite.

Computed Properties

Molecular Weight:392.4
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:392.16351668
Monoisotopic Mass:392.16351668
Topological Polar Surface Area:112
Heavy Atom Count:28
Complexity:848
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (16α)-9-Fluoro-16,17,21-trihydroxy-pregna-1,4-diene-3,11,20-trione

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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