BUDESONIDE 21-ACETATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H36O7
Molecular Weight	472.5705
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=QZIYSFVNRMBENV-PONRWWDOSA-N

InChI=1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H36O7
Molecular Weight	472.5705
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:02:26 UTC 2023` Edited by `admin` on `Sat Dec 16 11:02:26 UTC 2023`
Record UNII	4AZ2VA5QDS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUDESONIDE 21-ACETATE

Common Name

English

(11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-16,17-(BUTYLIDENEBIS(OXY))-11-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE

Systematic Name

English

21-(ACETOXY)-16.ALPHA.,17.ALPHA.-(BUTYLIDENEDIOXY)-11.BETA.-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE

Systematic Name

English

16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-21-ACETATE

Systematic Name

English

BUDESONIDE IMPURITY K [EP IMPURITY]

Common Name

English

BUDESONIDE 21-ACETATE (EPIMERS) [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

4AZ2VA5QDS

Created by admin on Sat Dec 16 11:02:26 UTC 2023 , Edited by admin on Sat Dec 16 11:02:26 UTC 2023

PRIMARY

PUBCHEM

13298228

Created by admin on Sat Dec 16 11:02:26 UTC 2023 , Edited by admin on Sat Dec 16 11:02:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID70535536

Created by admin on Sat Dec 16 11:02:26 UTC 2023 , Edited by admin on Sat Dec 16 11:02:26 UTC 2023

PRIMARY

CAS

51333-05-2

Created by admin on Sat Dec 16 11:02:26 UTC 2023 , Edited by admin on Sat Dec 16 11:02:26 UTC 2023

PRIMARY

Related Record Type Details


					Q3OKS62Q6X

BUDESONIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					Q3OKS62Q6X

BUDESONIDE

PARENT -> IMPURITY

Comments:

Limit includes both epimers.

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: