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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27FO2
Molecular Weight 318.4256
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.ALPHA.-FLUORO-18-NOR-17,17-DIMETHYLANDROSTA-4,13-DIEN-11.BETA.-OL-3-ONE

SMILES

[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1(F)[C@@H](O)CC4=C2CCC4(C)C

InChI

InChIKey=YSDHXMCAMJECTJ-UHMOLFJZSA-N
InChI=1S/C20H27FO2/c1-18(2)8-7-14-15-5-4-12-10-13(22)6-9-19(12,3)20(15,21)17(23)11-16(14)18/h10,15,17,23H,4-9,11H2,1-3H3/t15-,17-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27FO2
Molecular Weight 318.4256
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:15:18 UTC 2023
Edited
by admin
on Sat Dec 16 09:15:18 UTC 2023
Record UNII
00KFR5UA0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9.ALPHA.-FLUORO-18-NOR-17,17-DIMETHYLANDROSTA-4,13-DIEN-11.BETA.-OL-3-ONE
Common Name English
9.ALPHA.-FLUORO-17,17-DIMETHYL-18-NOR-ANDROSTAN-4,13-DIENE-11.BETA.-OL-3-ONE
Common Name English
9.ALPHA.-FLUORO-17,17-DIMETHYL-18-NORANDROSTANE-4,13-DIEN-11.BETA.-OL-3-ONE
Systematic Name English
18-NORANDROSTA-4,13-DIEN-3-ONE, 9-FLUORO-11-HYDROXY-17,17-DIMETHYL-, (11.BETA.)-
Systematic Name English
NSC-77025
Code English
9-FLUORO-11.BETA.-HYDROXY-17,17-DIMETHYL-18-NORANDROSTA-4,13-DIEN-3-ONE
Systematic Name English
Code System Code Type Description
CAS
3863-16-9
Created by admin on Sat Dec 16 09:15:18 UTC 2023 , Edited by admin on Sat Dec 16 09:15:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID30959471
Created by admin on Sat Dec 16 09:15:18 UTC 2023 , Edited by admin on Sat Dec 16 09:15:18 UTC 2023
PRIMARY
PUBCHEM
92135818
Created by admin on Sat Dec 16 09:15:18 UTC 2023 , Edited by admin on Sat Dec 16 09:15:18 UTC 2023
PRIMARY
NSC
77025
Created by admin on Sat Dec 16 09:15:18 UTC 2023 , Edited by admin on Sat Dec 16 09:15:18 UTC 2023
PRIMARY
FDA UNII
00KFR5UA0Z
Created by admin on Sat Dec 16 09:15:18 UTC 2023 , Edited by admin on Sat Dec 16 09:15:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE