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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O5.H2O
Molecular Weight 378.4593
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROCORTISONE 21-ALDEHYDE MONOHYDRATE

SMILES

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

InChI

InChIKey=RHUDCNJUXZQHJL-WDCKKOMHSA-N
InChI=1S/C21H28O5.H2O/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;/h9,11,14-16,18,24,26H,3-8,10H2,1-2H3;1H2/t14-,15-,16-,18+,19-,20-,21-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HYDROCORTISONE 21-ALDEHYDE MONOHYDRATE
Common Name English
PREGN-4-EN-21-AL, 11.BETA.,17-DIHYDROXY-3,20-DIOXO-, MONOHYDRATE
Systematic Name English
21-DEHYDROCORTISOL MONOHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
FOL1F81T4A
Created by admin on Sat Dec 16 14:11:04 GMT 2023 , Edited by admin on Sat Dec 16 14:11:04 GMT 2023
PRIMARY
PUBCHEM
71748780
Created by admin on Sat Dec 16 14:11:04 GMT 2023 , Edited by admin on Sat Dec 16 14:11:04 GMT 2023
PRIMARY
CAS
906337-64-2
Created by admin on Sat Dec 16 14:11:04 GMT 2023 , Edited by admin on Sat Dec 16 14:11:04 GMT 2023
PRIMARY