20-HYDROXYPREDNISOLONE, (20S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O5
Molecular Weight	364.4758
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 20-HYDROXYPREDNISOLONE, (20S)-

Structure Search

SMILES

[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@]4([H])CC(=O)C=C[C@]34C

InChI

InChIKey=PUGHZFAPHWZIRQ-LOYSCUJISA-N

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,12,14-18,22,24-26H,3-4,6,8-11H2,1-2H3/t12-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O5
Molecular Weight	364.4758
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:55:05 GMT 2023` Edited by `admin` on `Sat Dec 16 10:55:05 GMT 2023`
Record UNII	1S41ND2459
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-HYDROXYPREDNISOLONE, (20S)-

Common Name

English

PREGN-1-EN-3-ONE, 11,17,20,21-TETRAHYDROXY-, (5.BETA.,11.BETA.,20S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810686

Created by admin on Sat Dec 16 10:55:05 GMT 2023 , Edited by admin on Sat Dec 16 10:55:05 GMT 2023

PRIMARY

CAS

1417998-79-8

Created by admin on Sat Dec 16 10:55:05 GMT 2023 , Edited by admin on Sat Dec 16 10:55:05 GMT 2023

PRIMARY

FDA UNII

1S41ND2459

Created by admin on Sat Dec 16 10:55:05 GMT 2023 , Edited by admin on Sat Dec 16 10:55:05 GMT 2023

PRIMARY

Related Record Type Details


					VB0R961HZT

PREDNISONE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: