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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31FO3
Molecular Weight 350.4674
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTAN-3-ONE, 17-(ACETYLOXY)-2-FLUORO-, (2.ALPHA.,5.ALPHA.,17.BETA.)-

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CC(=O)[C@H](F)C[C@]34C

InChI

InChIKey=WACIVNIHJKQSFP-LKIOEXHTSA-N
InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H31FO3
Molecular Weight 350.4674
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 Dec 16 04:39:39 GMT 2023
Edited
by admin
on Sat Dec 16 04:39:39 GMT 2023
Record UNII
VAP1HL22AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTAN-3-ONE, 17-(ACETYLOXY)-2-FLUORO-, (2.ALPHA.,5.ALPHA.,17.BETA.)-
Systematic Name English
5.ALPHA.-ANDROSTAN-3-ONE, 2.ALPHA.-FLUORO-17.BETA.-HYDROXY-, ACETATE
Common Name English
5.ALPHA.-ANDROSTANE-2.ALPHA.-FLUORO-17.BETA.-OL-3-ONE ACETATE
Common Name English
ANDROSTAN-3-ONE, 2.ALPHA.-FLUORO-17.BETA.-HYDROXY-, ACETATE
Common Name English
NSC-44115
Code English
2.ALPHA.-FLUORO-17.BETA.-HYDROXY-5.ALPHA.-ANDROSTAN-3-ONE ACETATE
Common Name English
Code System Code Type Description
PUBCHEM
11954113
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY
CAS
1648-61-9
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY
NSC
44115
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID40936995
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY
FDA UNII
VAP1HL22AB
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY