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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31FO6
Molecular Weight 422.487
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-FLUOROHYDROCORTISONE 21-ACETATE

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](F)C4=CC(=O)CC[C@]34C

InChI

InChIKey=IXQXTLBVUAXXNT-APRQOCPKSA-N
InChI=1S/C23H31FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H31FO6
Molecular Weight 422.487
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 05:32:53 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:53 GMT 2023
Record UNII
ZZ3356N57E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-FLUOROHYDROCORTISONE 21-ACETATE
Common Name English
PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-6-FLUORO-11,17-DIHYDROXY-, (6.ALPHA.,11.BETA.)-
Systematic Name English
U 81007
Code English
NSC-27404
Code English
CORTICOSTERONE, 6.ALPHA.-FLUORO-17-HYDROXY-, 21-ACETATE
Common Name English
PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-11.BETA.,17,21-TRIHYDROXY-, 21-ACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901154029
Created by admin on Sat Dec 16 05:32:53 GMT 2023 , Edited by admin on Sat Dec 16 05:32:53 GMT 2023
PRIMARY
FDA UNII
ZZ3356N57E
Created by admin on Sat Dec 16 05:32:53 GMT 2023 , Edited by admin on Sat Dec 16 05:32:53 GMT 2023
PRIMARY
PUBCHEM
231352
Created by admin on Sat Dec 16 05:32:53 GMT 2023 , Edited by admin on Sat Dec 16 05:32:53 GMT 2023
PRIMARY
NSC
27404
Created by admin on Sat Dec 16 05:32:53 GMT 2023 , Edited by admin on Sat Dec 16 05:32:53 GMT 2023
PRIMARY
CAS
1058-55-5
Created by admin on Sat Dec 16 05:32:53 GMT 2023 , Edited by admin on Sat Dec 16 05:32:53 GMT 2023
PRIMARY