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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H20O3
Molecular Weight 332.3924
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Deschloro Atovaquone

SMILES

OC1=C([C@H]2CC[C@@H](CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C1=O

InChI

InChIKey=CIEUSZBTKKXKPA-WKILWMFISA-N
InChI=1S/C22H20O3/c23-20-17-8-4-5-9-18(17)21(24)22(25)19(20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-9,15-16,25H,10-13H2/t15-,16-

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4-Naphthalenedione, 2-hydroxy-3-(4-phenylcyclohexyl)-, trans-
Preferred Name English
Deschloro Atovaquone
Common Name English
Code System Code Type Description
CAS
92458-44-1
Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025
PRIMARY
PUBCHEM
14129698
Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20556332
Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025
PRIMARY
FDA UNII
YJA3FF9U7Y
Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025
PRIMARY