20-HYDROXYBUDESONIDE, (S)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H36O6
Molecular Weight	432.5497
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(O)CO

InChI

InChIKey=RUWOCYNXJRLZDO-PGGLIXQJSA-N

InChI=1S/C25H36O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-22,26,28-29H,4-7,11-13H2,1-3H3/t16-,17-,18-,19-,20+,21?,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O6
Molecular Weight	432.5497
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:46 GMT 2023` Edited by `admin` on `Sat Dec 16 10:48:46 GMT 2023`
Record UNII	68MRA3T86B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-HYDROXYBUDESONIDE, (S)-

Common Name

English

PREGNA-1,4-DIEN-3-ONE, 16,17-(BUTYLIDENEBIS(OXY))-11,20,21-TRIHYDROXY-, (11.BETA.,16.ALPHA.,20S)-

Systematic Name

English

Code System Code Type Description

CAS

1379578-64-9

Created by admin on Sat Dec 16 10:48:46 GMT 2023 , Edited by admin on Sat Dec 16 10:48:46 GMT 2023

PRIMARY

PUBCHEM

91810677

Created by admin on Sat Dec 16 10:48:46 GMT 2023 , Edited by admin on Sat Dec 16 10:48:46 GMT 2023

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FDA UNII

68MRA3T86B

Created by admin on Sat Dec 16 10:48:46 GMT 2023 , Edited by admin on Sat Dec 16 10:48:46 GMT 2023

PRIMARY

Related Record Type Details


					Q3OKS62Q6X

BUDESONIDE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE