DOXIBETASOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29FO4
Molecular Weight	376.4617
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=IKGBPSZWCRRUQS-DTAAKRQUSA-N

InChI=1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H29FO4
Molecular Weight	376.4617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://piminhibitor.com/index.php/2017/08/23/Doxybetasol/ | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 470, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Doxybetasol is the corticosteroid. It is an impurity of Betamethasone, which is a glucocorticoid used as an anti-inflammatory agent. Doxybetasol also has anti-inflammatory and anti-allergic properties.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:18:48 UTC 2023` Edited by `admin` on `Fri Dec 15 16:18:48 UTC 2023`
Record UNII	0JS043FG0D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOXIBETASOL

Official Name

English

21-deoxy-betamethasone

Common Name

English

doxibetasol [INN]

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.BETA.)-

Systematic Name

English

BETAMETHASONE VALERATE IMPURITY B [EP IMPURITY]

Common Name

English

9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

Systematic Name

English

DOXYBETASOL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C521