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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O7
Molecular Weight 446.5333
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROCORTISONE 11,21-DIACETATE

SMILES

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

InChI

InChIKey=IZCYHZAQYDURFA-WEXULQILSA-N
InChI=1S/C25H34O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(32-15(2)27)12-24(19,25)4/h11,18-20,22,30H,5-10,12-13H2,1-4H3/t18-,19-,20-,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O7
Molecular Weight 446.5333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:19:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:19:49 GMT 2023
Record UNII
ABH947V8F4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROCORTISONE 11,21-DIACETATE
Common Name English
HYDROCORTISONE ACETATE IMPURITY G [EP IMPURITY]
Common Name English
PREGN-4-ENE-3,20-DIONE, 11,21-BIS(ACETYLOXY)-17-HYDROXY-, (11.BETA.)-
Common Name English
CORTISOL, 11,21-DIACETATE
Common Name English
17-HYDROXY-3,20-DIOXOPREGN-4-ENE-11.BETA.,21-DIYL DIACETATE
Official Name English
Code System Code Type Description
CAS
81968-66-3
Created by admin on Sat Dec 16 14:19:49 GMT 2023 , Edited by admin on Sat Dec 16 14:19:49 GMT 2023
PRIMARY
PUBCHEM
121225958
Created by admin on Sat Dec 16 14:19:49 GMT 2023 , Edited by admin on Sat Dec 16 14:19:49 GMT 2023
PRIMARY
FDA UNII
ABH947V8F4
Created by admin on Sat Dec 16 14:19:49 GMT 2023 , Edited by admin on Sat Dec 16 14:19:49 GMT 2023
PRIMARY