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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16N2O5
Molecular Weight 376.3621
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,8-Diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-9,10-anthracenedione

SMILES

CC1=C(O)C=CC(=C1)C2=CC(N)=C3C(=O)C4=C(C(N)=CC=C4O)C(=O)C3=C2O

InChI

InChIKey=WSZULUJFSWLUAF-UHFFFAOYSA-N
InChI=1S/C21H16N2O5/c1-8-6-9(2-4-13(8)24)10-7-12(23)16-18(19(10)26)21(28)15-11(22)3-5-14(25)17(15)20(16)27/h2-7,24-26H,22-23H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H16N2O5
Molecular Weight 376.3621
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 20:20:18 GMT 2025
Edited
by admin
on Tue Apr 01 20:20:18 GMT 2025
Record UNII
X7JG8WE7JB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,8-Diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-9,10-anthracenedione
Systematic Name English
9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
225-182-0
Created by admin on Tue Apr 01 20:20:18 GMT 2025 , Edited by admin on Tue Apr 01 20:20:18 GMT 2025
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CAS
4702-65-2
Created by admin on Tue Apr 01 20:20:18 GMT 2025 , Edited by admin on Tue Apr 01 20:20:18 GMT 2025
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EPA CompTox
DTXSID1063566
Created by admin on Tue Apr 01 20:20:18 GMT 2025 , Edited by admin on Tue Apr 01 20:20:18 GMT 2025
PRIMARY
PUBCHEM
78430
Created by admin on Tue Apr 01 20:20:18 GMT 2025 , Edited by admin on Tue Apr 01 20:20:18 GMT 2025
PRIMARY
FDA UNII
X7JG8WE7JB
Created by admin on Tue Apr 01 20:20:18 GMT 2025 , Edited by admin on Tue Apr 01 20:20:18 GMT 2025
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