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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H17NO7
Molecular Weight 419.3836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl ethyl carbonate

SMILES

CCOC(=O)OC1=CC=C(OC2=CC(O)=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2N)C=C1

InChI

InChIKey=QXIBJIXBYGNLRE-UHFFFAOYSA-N
InChI=1S/C23H17NO7/c1-2-29-23(28)31-13-9-7-12(8-10-13)30-17-11-16(25)18-19(20(17)24)22(27)15-6-4-3-5-14(15)21(18)26/h3-11,25H,2,24H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H17NO7
Molecular Weight 419.3836
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 Sat Dec 16 19:56:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:40 GMT 2023
Record UNII
DFW5HG9UJC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl ethyl carbonate
Systematic Name English
4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenylethyl carbonate
Systematic Name English
Carbonic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl ethyl ester
Systematic Name English
Code System Code Type Description
CAS
36490-27-4
Created by admin on Sat Dec 16 19:56:40 GMT 2023 , Edited by admin on Sat Dec 16 19:56:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID50189995
Created by admin on Sat Dec 16 19:56:40 GMT 2023 , Edited by admin on Sat Dec 16 19:56:40 GMT 2023
PRIMARY
PUBCHEM
118988
Created by admin on Sat Dec 16 19:56:40 GMT 2023 , Edited by admin on Sat Dec 16 19:56:40 GMT 2023
PRIMARY
FDA UNII
DFW5HG9UJC
Created by admin on Sat Dec 16 19:56:40 GMT 2023 , Edited by admin on Sat Dec 16 19:56:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-060-7
Created by admin on Sat Dec 16 19:56:40 GMT 2023 , Edited by admin on Sat Dec 16 19:56:40 GMT 2023
PRIMARY