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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29FO4
Molecular Weight 352.441
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-HYDROXYFLUOXYMESTERONE

SMILES

C[C@@]12CCC(=O)C=C2[C@@]([H])(C[C@@]3([H])[C@]4([H])CC[C@@](C)([C@@]4(C)C[C@@]([H])([C@@]31F)O)O)O

InChI

InChIKey=SAMKMXPGYNTUIZ-SIZAIIQISA-N
InChI=1S/C20H29FO4/c1-17-6-4-11(22)8-14(17)15(23)9-13-12-5-7-19(3,25)18(12,2)10-16(24)20(13,17)21/h8,12-13,15-16,23-25H,4-7,9-10H2,1-3H3/t12-,13-,15+,16-,17-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H29FO4
Molecular Weight 352.441
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:39:54 UTC 2021
Edited
by admin
on Sat Jun 26 03:39:54 UTC 2021
Record UNII
Q2S7KPI8MC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.BETA.-HYDROXYFLUOXYMESTERONE
Common Name English
ANDROST-4-EN-3-ONE, 9-FLUORO-6,11,17-TRIHYDROXY-17-METHYL-, (6.BETA.,11.BETA.,17.BETA.)-
Systematic Name English
6.BETA.-OH-FLUOXYMESTERONE
Common Name English
6-HYDROXYFLUOXYMESTERONE
Common Name English
Code System Code Type Description
CAS
88936-08-7
Created by admin on Sat Jun 26 03:39:54 UTC 2021 , Edited by admin on Sat Jun 26 03:39:54 UTC 2021
PRIMARY
PUBCHEM
11002660
Created by admin on Sat Jun 26 03:39:54 UTC 2021 , Edited by admin on Sat Jun 26 03:39:54 UTC 2021
PRIMARY
FDA UNII
Q2S7KPI8MC
Created by admin on Sat Jun 26 03:39:54 UTC 2021 , Edited by admin on Sat Jun 26 03:39:54 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE