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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O6
Molecular Weight 405.3603
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro-9,10-anthracenedione

SMILES

COC1=CC=CC=C1NC2=C3C(=O)C4=C(C(=O)C3=C(N)C=C2)C(=CC=C4O)[N+]([O-])=O

InChI

InChIKey=BKWLXQMMPYJEDE-UHFFFAOYSA-N
InChI=1S/C21H15N3O6/c1-30-15-5-3-2-4-11(15)23-12-7-6-10(22)16-17(12)21(27)19-14(25)9-8-13(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H15N3O6
Molecular Weight 405.3603
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:42:22 GMT 2025
Edited
by admin
on Tue Apr 01 17:42:22 GMT 2025
Record UNII
MW27F857TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro-9,10-anthracenedione
Systematic Name English
9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID6072344
Created by admin on Tue Apr 01 17:42:22 GMT 2025 , Edited by admin on Tue Apr 01 17:42:22 GMT 2025
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CAS
71412-38-9
Created by admin on Tue Apr 01 17:42:22 GMT 2025 , Edited by admin on Tue Apr 01 17:42:22 GMT 2025
PRIMARY
FDA UNII
MW27F857TJ
Created by admin on Tue Apr 01 17:42:22 GMT 2025 , Edited by admin on Tue Apr 01 17:42:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
275-435-4
Created by admin on Tue Apr 01 17:42:22 GMT 2025 , Edited by admin on Tue Apr 01 17:42:22 GMT 2025
PRIMARY
PUBCHEM
5490622
Created by admin on Tue Apr 01 17:42:22 GMT 2025 , Edited by admin on Tue Apr 01 17:42:22 GMT 2025
PRIMARY