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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N2O4
Molecular Weight 356.4156
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-(DIETHYLAMINO)ETHYL)AMINO)-7-HYDROXY-4-(HYDROXYMETHYL)-9H-XANTHEN-9-ONE

SMILES

CCN(CC)CCNC1=CC=C(CO)C2=C1C(=O)C3=C(O2)C=CC(O)=C3

InChI

InChIKey=OSFGIIHGSJLJLF-UHFFFAOYSA-N
InChI=1S/C20H24N2O4/c1-3-22(4-2)10-9-21-16-7-5-13(12-23)20-18(16)19(25)15-11-14(24)6-8-17(15)26-20/h5-8,11,21,23-24H,3-4,9-10,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H24N2O4
Molecular Weight 356.4156
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:34:13 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:13 GMT 2025
Record UNII
TXE68QY56H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-355357
Preferred Name English
1-((2-(DIETHYLAMINO)ETHYL)AMINO)-7-HYDROXY-4-(HYDROXYMETHYL)-9H-XANTHEN-9-ONE
Systematic Name English
9H-Xanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
337428
Created by admin on Tue Apr 01 19:34:13 GMT 2025 , Edited by admin on Tue Apr 01 19:34:13 GMT 2025
PRIMARY
CAS
86455-97-2
Created by admin on Tue Apr 01 19:34:13 GMT 2025 , Edited by admin on Tue Apr 01 19:34:13 GMT 2025
PRIMARY
FDA UNII
TXE68QY56H
Created by admin on Tue Apr 01 19:34:13 GMT 2025 , Edited by admin on Tue Apr 01 19:34:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID10235563
Created by admin on Tue Apr 01 19:34:13 GMT 2025 , Edited by admin on Tue Apr 01 19:34:13 GMT 2025
PRIMARY
NSC
355357
Created by admin on Tue Apr 01 19:34:13 GMT 2025 , Edited by admin on Tue Apr 01 19:34:13 GMT 2025
PRIMARY