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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21FO4
Molecular Weight 332.366
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-FLUORO-17.ALPHA.-OXA-DEXTRO-HOMOANDROSTA-1,4-DIENE-3,11,17-TRIONE

SMILES

[H][C@@]12CCC(=O)O[C@@]1(C)CC(=O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=YIGCZRBQSHBYRL-ZENYQMPMSA-N
InChI=1S/C19H21FO4/c1-17-8-7-12(21)9-11(17)3-4-14-13-5-6-16(23)24-18(13,2)10-15(22)19(14,17)20/h7-9,13-14H,3-6,10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21FO4
Molecular Weight 332.366
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:47:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:47:17 GMT 2023
Record UNII
9QHX5UOM0M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-FLUORO-17.ALPHA.-OXA-DEXTRO-HOMOANDROSTA-1,4-DIENE-3,11,17-TRIONE
Common Name English
1-DEHYDRO-9-FLUORO-11-OXOTESTOLACTONE
Common Name English
9-FLUORO-11-OXOTESTOLOLACTONE
Systematic Name English
13,17-SECOANDROSTA-1,4-DIEN-17-OIC ACID, 9-FLUORO-13-HYDROXY-3,11-DIOXO-, .DELTA.-LACTONE
Systematic Name English
NSC-76164
Code English
1-PHENANTHRENEPROPIONIC ACID, 4A-FLUORO-1,2,3,4,4A,4B,7,9,10,10A-DECAHYDRO-2-HYDROXY-2,4B-DIMETHYL-4,7-DIOXO-, .DELTA.-LACTONE
Systematic Name English
Code System Code Type Description
FDA UNII
9QHX5UOM0M
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
PRIMARY
CAS
2597-77-5
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
SUPERSEDED
PUBCHEM
253326
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
PRIMARY
NSC
76164
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
PRIMARY
CAS
6875-24-7
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID40291516
Created by admin on Sat Dec 16 08:47:17 GMT 2023 , Edited by admin on Sat Dec 16 08:47:17 GMT 2023
PRIMARY