20-HYDROXY METHYLPREDNISOLONE, (20S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H32O5
Molecular Weight	376.4865
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 20-HYDROXY METHYLPREDNISOLONE, (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])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=GXALFBTWPDTDIR-CJXIPBSFSA-N

InChI=1S/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17-19,23,25-27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,18-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H32O5
Molecular Weight	376.4865
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 10:50:48 UTC 2023` Edited by `admin` on `Sat Dec 16 10:50:48 UTC 2023`
Record UNII	K0VHF4KL3N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-HYDROXY METHYLPREDNISOLONE, (20S)-

Common Name

English

PREGNA-1,4-DIEN-3-ONE, 11,17,20,21-TETRAHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.,20S)-

Systematic Name

English

11.BETA.,17.ALPHA.,20.BETA.,21-TETRAHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3-ONE

Systematic Name

English

20-HYDROXY METHYLPREDNISOLONE, (20.BETA.)-

Common Name

English

Code System Code Type Description

CAS

387-66-6

Created by admin on Sat Dec 16 10:50:48 UTC 2023 , Edited by admin on Sat Dec 16 10:50:48 UTC 2023

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FDA UNII

K0VHF4KL3N

Created by admin on Sat Dec 16 10:50:48 UTC 2023 , Edited by admin on Sat Dec 16 10:50:48 UTC 2023

PRIMARY

PUBCHEM

91667671

Created by admin on Sat Dec 16 10:50:48 UTC 2023 , Edited by admin on Sat Dec 16 10:50:48 UTC 2023

PRIMARY

Related Record Type Details


					X4W7ZR7023

METHYLPREDNISOLONE

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

URINE