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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H9ClO6
Molecular Weight 320.681
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)ANTHRAQUINONE

SMILES

OCC1=CC2=C(C(O)=C1)C(=O)C3=C(C=C(O)C(Cl)=C3O)C2=O

InChI

InChIKey=GPTPSPAFUZTDEG-UHFFFAOYSA-N
InChI=1S/C15H9ClO6/c16-12-9(19)3-7-11(15(12)22)14(21)10-6(13(7)20)1-5(4-17)2-8(10)18/h1-3,17-19,22H,4H2

HIDE SMILES / InChI

Molecular Formula C15H9ClO6
Molecular Weight 320.681
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 17:36:27 GMT 2025
Edited
by admin
on Tue Apr 01 17:36:27 GMT 2025
Record UNII
LAY5YR2K7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)ANTHRAQUINONE
Systematic Name English
9,10-ANTHRACENEDIONE, 2-CHLORO-1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)-
Preferred Name English
ANTHRAQUINONE, 2-CHLORO-1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
LAY5YR2K7G
Created by admin on Tue Apr 01 17:36:27 GMT 2025 , Edited by admin on Tue Apr 01 17:36:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID901347325
Created by admin on Tue Apr 01 17:36:27 GMT 2025 , Edited by admin on Tue Apr 01 17:36:27 GMT 2025
PRIMARY
PUBCHEM
10403757
Created by admin on Tue Apr 01 17:36:27 GMT 2025 , Edited by admin on Tue Apr 01 17:36:27 GMT 2025
PRIMARY
CAS
18521-74-9
Created by admin on Tue Apr 01 17:36:27 GMT 2025 , Edited by admin on Tue Apr 01 17:36:27 GMT 2025
PRIMARY