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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO6
Molecular Weight 415.4803
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6BETA-HYDROXY-21-DESACETYL DEFLAZACORT

SMILES

CC1=N[C@]2(C(=O)CO)[C@@]([H])(C[C@@]3([H])[C@]4([H])C[C@]([H])(C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@]([H])(C[C@@]32C)O)O)O1

InChI

InChIKey=GUUSJROCWMOQNZ-WBMHGXHJSA-N
InChI=1S/C23H29NO6/c1-11-24-23(18(29)10-25)19(30-11)8-14-13-7-16(27)15-6-12(26)4-5-21(15,2)20(13)17(28)9-22(14,23)3/h4-6,13-14,16-17,19-20,25,27-28H,7-10H2,1-3H3/t13-,14-,16+,17-,19+,20+,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO6
Molecular Weight 415.4803
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:25:35 UTC 2021
Edited
by admin
on Sat Jun 26 12:25:35 UTC 2021
Record UNII
L93L6AWV7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6BETA-HYDROXY-21-DESACETYL DEFLAZACORT
Common Name English
DEFLAZACORT METABOLITE III
Common Name English
6-.BETA.-HYDROXY-21-DEASCETYL-DFZ
Common Name English
(6.BETA.,11.BETA.,16.BETA.)-6,11,21-TRIHYDROXY-2'-METHYL-5'H-PREGNA-1,4-DIENO(17,16-D)OXAZOLE-3,20-DIONE
Systematic Name English
5'H-PREGNA-1,4-DIENO(17,16-D)OXAZOLE-3,20-DIONE, 6,11,21-TRIHYDROXY-2'-METHYL-, (6.BETA.,11.BETA.,16.BETA.)-
Systematic Name English
6.BETA.-HYDROXY-21-DESACETYL DEFLAZACORT
Common Name English
Code System Code Type Description
CAS
72099-45-7
Created by admin on Sat Jun 26 12:25:35 UTC 2021 , Edited by admin on Sat Jun 26 12:25:35 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
29981402
Created by admin on Sat Jun 26 12:25:35 UTC 2021 , Edited by admin on Sat Jun 26 12:25:35 UTC 2021
PRIMARY PUBCHEM
FDA UNII
L93L6AWV7W
Created by admin on Sat Jun 26 12:25:35 UTC 2021 , Edited by admin on Sat Jun 26 12:25:35 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
6?-OH-21-desDFZ exhibited minimal binding to the human glucocorticoid receptor (<15%) at concentration up to 1 ?M.
MINOR
Ki
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PARENT -> METABOLITE