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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H37NO4.C2H4O2
Molecular Weight 463.6068
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDIFOLONE ACETATE

SMILES

CC(O)=O.[H][C@@]12CCC3(OCCO3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5CC6(CC[C@]45CCN)OCCO6

InChI

InChIKey=KLIYNMQKDXUDTI-PBVFMVSVSA-N
InChI=1S/C24H37NO4.C2H4O2/c1-21-6-4-20-18(19(21)5-7-24(21)28-14-15-29-24)3-2-17-16-23(26-12-13-27-23)9-8-22(17,20)10-11-25;1-2(3)4/h2,18-20H,3-16,25H2,1H3;1H3,(H,3,4)/t18-,19-,20-,21-,22+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EDIFOLONE ACETATE
USAN  
USAN  
Official Name English
ESTR-5-ENE-3,17-DIONE, 10-(2-AMINOETHYL)-, CYCLIC BIS(1,2-ETHANEDIYL ACETAL), ACETATE
Common Name English
SC-35135
Code English
10-(2-Aminoethyl)estr-5-ene-3,17-dione, cyclic bis(ethylene acetal), acetate
Common Name English
EDIFOLONE ACETATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C75130
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID50920209
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
MESH
C057261
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111177
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
PUBCHEM
68611
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
CAS
90733-42-9
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
FDA UNII
043L86G83X
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY
USAN
X-82
Created by admin on Fri Dec 15 16:21:06 UTC 2023 , Edited by admin on Fri Dec 15 16:21:06 UTC 2023
PRIMARY