6,7-DIDEHYDRO-11-KETO METHYLPREDNISOLONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O5
Molecular Weight	370.4388
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,7-DIDEHYDRO-11-KETO METHYLPREDNISOLONE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])C=C(C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=UZOIZSNYUKTKKA-CGUNKXLJSA-N

InChI=1S/C22H26O5/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/h4,6,8-9,14-15,19,23,27H,5,7,10-11H2,1-3H3/t14-,15-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H26O5
Molecular Weight	370.4388
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:29:35 UTC 2023` Edited by `admin` on `Sat Dec 16 09:29:35 UTC 2023`
Record UNII	7S5HEH87YT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,7-DIDEHYDRO-11-KETO METHYLPREDNISOLONE

Common Name

English

PREGNA-1,4,6-TRIENE-3,11,20-TRIONE, 17,21-DIHYDROXY-6-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

7S5HEH87YT

Created by admin on Sat Dec 16 09:29:35 UTC 2023 , Edited by admin on Sat Dec 16 09:29:35 UTC 2023

PRIMARY

PUBCHEM

13932219

Created by admin on Sat Dec 16 09:29:35 UTC 2023 , Edited by admin on Sat Dec 16 09:29:35 UTC 2023

PRIMARY

CAS

97116-40-0

Created by admin on Sat Dec 16 09:29:35 UTC 2023 , Edited by admin on Sat Dec 16 09:29:35 UTC 2023

PRIMARY

Related Record Type Details


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METHYLPREDNISOLONE

PARENT -> METABOLITE

Qualification:

URINE