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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N2O2S.C2H6O3S
Molecular Weight 466.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYCANTHONE ETHANESULFONATE

SMILES

CCS(O)(=O)=O.CCN(CC)CCNC1=CC=C(CO)C2=C1C(=O)C3=C(S2)C=CC=C3

InChI

InChIKey=MFJJATAOPXFYNI-UHFFFAOYSA-N
InChI=1S/C20H24N2O2S.C2H6O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-2-6(3,4)5/h5-10,21,23H,3-4,11-13H2,1-2H3;2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Approval Year

Name Type Language
HYCANTHONE ETHANESULFONATE
Common Name English
ETHANESULFONIC ACID, COMPD. WITH 1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-(HYDROXYMETHYL)-9H-THIOXANTHEN-9-ONE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40214487
Created by admin on Fri Dec 15 18:29:23 UTC 2023 , Edited by admin on Fri Dec 15 18:29:23 UTC 2023
PRIMARY
FDA UNII
IOB67KGQ3N
Created by admin on Fri Dec 15 18:29:23 UTC 2023 , Edited by admin on Fri Dec 15 18:29:23 UTC 2023
PRIMARY
PUBCHEM
152365
Created by admin on Fri Dec 15 18:29:23 UTC 2023 , Edited by admin on Fri Dec 15 18:29:23 UTC 2023
PRIMARY
CAS
64265-18-5
Created by admin on Fri Dec 15 18:29:23 UTC 2023 , Edited by admin on Fri Dec 15 18:29:23 UTC 2023
PRIMARY