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(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione structure

CAS No:
806-29-1
Formula:
C21H26F2O5
Chemical Name:
(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
Synonyms:
Pregna-1,4-diene-3,20-dione,6,9-difluoro-11,17,21-trihydroxy-,(6α,11β)-;Pregna-1,4-diene-3,20-dione,6α,9-difluoro-11β,17,21-trihydroxy-;(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione;6α,9-Difluoroprednisolone;6α,9α-Difluoroprednisolone;NSC 77021
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione Basic Attributes

Molecular Weight：

396.4249464

Exact Mass：

396.42

EC Number：

212-360-8

NSC Number：

77021

HScode：

2937210000

Characteristics

PSA：

94.8

XLogP3：

1.12

Density：

1.4±0.1 g/cm3

Melting Point：

250-257 °C (decomp)

Boiling Point：

568.3±50.0 °C at 760 mmHg

Flash Point：

297.5±30.1 °C

Refractive Index：

1.587

Computed Properties

Molecular Weight:396.4
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:396.17483025
Monoisotopic Mass:396.17483025
Topological Polar Surface Area:94.8
Heavy Atom Count:28
Complexity:809
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

Basic Attributes
Characteristics
Computed Properties
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(6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

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