Prednisone Impurity 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O5
Molecular Weight	358.4281
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO

InChI

InChIKey=WQMGIEOKPKMWEY-FEUSSREZSA-N

InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O5
Molecular Weight	358.4281
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:53:39 GMT 2025` Edited by `admin` on `Wed Apr 02 18:53:39 GMT 2025`
Record UNII	LVH6U45D4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Prednisone Impurity 1

Common Name

English

9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregna-1,4-diene-3,20-dione deriv.

Preferred Name

English

9,11?-Epoxy-17,21-dihydroxy-9?-pregna-1,4-diene-3,20-dione

Systematic Name

English

Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9?,11?)-

Systematic Name

English

9?-Pregna-1,4-diene-3,20-dione, 9,11?-epoxy-17,21-dihydroxy-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11876519

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

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EPA CompTox

DTXSID50991196

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

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CAS

7091-05-6

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

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FDA UNII

LVH6U45D4N

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

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