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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9BrN2O4
Molecular Weight 349.136
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,10-Anthracenedione, 4,8-diamino-2-bromo-1,5-dihydroxy-

SMILES

NC1=CC=C(O)C2=C1C(=O)C3=C(O)C(Br)=CC(N)=C3C2=O

InChI

InChIKey=AIARLPIXVMHZLJ-UHFFFAOYSA-N
InChI=1S/C14H9BrN2O4/c15-4-3-6(17)9-11(12(4)19)14(21)8-5(16)1-2-7(18)10(8)13(9)20/h1-3,18-19H,16-17H2

HIDE SMILES / InChI

Molecular Formula C14H9BrN2O4
Molecular Weight 349.136
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 12:33:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:34 GMT 2023
Record UNII
KD5R9G6FVY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,10-Anthracenedione, 4,8-diamino-2-bromo-1,5-dihydroxy-
Systematic Name English
4,8-Diamino-2-bromo-1,5-dihydroxy-9,10-anthracenedione
Systematic Name English
Code System Code Type Description
CAS
27312-18-1
Created by admin on Sat Dec 16 12:33:34 GMT 2023 , Edited by admin on Sat Dec 16 12:33:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID4067301
Created by admin on Sat Dec 16 12:33:34 GMT 2023 , Edited by admin on Sat Dec 16 12:33:34 GMT 2023
PRIMARY
FDA UNII
KD5R9G6FVY
Created by admin on Sat Dec 16 12:33:34 GMT 2023 , Edited by admin on Sat Dec 16 12:33:34 GMT 2023
PRIMARY
PUBCHEM
117969
Created by admin on Sat Dec 16 12:33:34 GMT 2023 , Edited by admin on Sat Dec 16 12:33:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-396-6
Created by admin on Sat Dec 16 12:33:34 GMT 2023 , Edited by admin on Sat Dec 16 12:33:34 GMT 2023
PRIMARY