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Details

Stereochemistry ACHIRAL
Molecular Formula C15H6N4O13
Molecular Weight 450.2271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone

SMILES

OCC1=C(C(O)=C2C(=O)C3=C(O)C(=CC(=C3C(=O)C2=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=QFCNNIIPXGJBQT-UHFFFAOYSA-N
InChI=1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2

HIDE SMILES / InChI

Molecular Formula C15H6N4O13
Molecular Weight 450.2271
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 Mon Mar 31 22:30:27 GMT 2025
Edited
by admin
on Mon Mar 31 22:30:27 GMT 2025
Record UNII
655MT5ZQE3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
Systematic Name English
4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione
Preferred Name English
9,10-Anthracenedione, 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
5464178
Created by admin on Mon Mar 31 22:30:27 GMT 2025 , Edited by admin on Mon Mar 31 22:30:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-307-6
Created by admin on Mon Mar 31 22:30:27 GMT 2025 , Edited by admin on Mon Mar 31 22:30:27 GMT 2025
PRIMARY
CAS
567-95-3
Created by admin on Mon Mar 31 22:30:27 GMT 2025 , Edited by admin on Mon Mar 31 22:30:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID50205260
Created by admin on Mon Mar 31 22:30:27 GMT 2025 , Edited by admin on Mon Mar 31 22:30:27 GMT 2025
PRIMARY
FDA UNII
655MT5ZQE3
Created by admin on Mon Mar 31 22:30:27 GMT 2025 , Edited by admin on Mon Mar 31 22:30:27 GMT 2025
PRIMARY