U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O6
Molecular Weight 414.4914
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-METHYL PREDNISONE 21-ACETATE

SMILES

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

InChI

InChIKey=KMSUNGHJCVAKKC-CEDBDYPOSA-N
InChI=1S/C24H30O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,21,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,21+,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6.ALPHA.-METHYL PREDNISONE 21-ACETATE
Common Name English
(6.ALPHA.)-21-(ACETYLOXY)-17-HYDROXY-6-METHYLPREGNA-1,4-DIENE-3,11,20-TRIONE
Systematic Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 17,21-DIHYDROXY-6.ALPHA.-METHYL-, 21-ACETATE
Systematic Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 21-(ACETYLOXY)-17-HYDROXY-6-METHYL-, (6.ALPHA.)-
Systematic Name English
17-HYDROXY-6.ALPHA.-METHYL-3,11,20-TRIOXOPREGNA-1,4-DIEN-21-YL ACETATE
Systematic Name English
METHYLPREDNISOLONE ACETATE IMPURITY K [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70652656
Created by admin on Sat Dec 16 19:00:08 GMT 2023 , Edited by admin on Sat Dec 16 19:00:08 GMT 2023
PRIMARY
PUBCHEM
29984347
Created by admin on Sat Dec 16 19:00:08 GMT 2023 , Edited by admin on Sat Dec 16 19:00:08 GMT 2023
PRIMARY
CAS
115321-98-7
Created by admin on Sat Dec 16 19:00:08 GMT 2023 , Edited by admin on Sat Dec 16 19:00:08 GMT 2023
PRIMARY
FDA UNII
656USS8K9W
Created by admin on Sat Dec 16 19:00:08 GMT 2023 , Edited by admin on Sat Dec 16 19:00:08 GMT 2023
PRIMARY