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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O5
Molecular Weight 372.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (16.ALPHA.)-17,21-DIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,11,20-TRIONE

SMILES

C[C@]1([H])C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@]1(C(=O)CO)O

InChI

InChIKey=PIDANAQULIKBQS-VUOZLLHNSA-N
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28O5
Molecular Weight 372.4556
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 Sat Jun 26 05:52:51 UTC 2021
Edited
by admin
on Sat Jun 26 05:52:51 UTC 2021
Record UNII
NJ0LL8HN9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(16.ALPHA.)-17,21-DIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,11,20-TRIONE
Systematic Name English
17,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,11,20-TRIONE
Common Name English
16.ALPHA.-METHYLPREDNISONE [USP]
Common Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 17,21-DIHYDROXY-16-METHYL-, (16.ALPHA.)-
Systematic Name English
16.ALPHA.-METHYLPREDNISONE
Common Name English
Code System Code Type Description
PUBCHEM
68141632
Created by admin on Sat Jun 26 05:52:51 UTC 2021 , Edited by admin on Sat Jun 26 05:52:51 UTC 2021
PRIMARY
FDA UNII
NJ0LL8HN9X
Created by admin on Sat Jun 26 05:52:51 UTC 2021 , Edited by admin on Sat Jun 26 05:52:51 UTC 2021
PRIMARY
CAS
2036-77-3
Created by admin on Sat Jun 26 05:52:51 UTC 2021 , Edited by admin on Sat Jun 26 05:52:51 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP