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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N4O4
Molecular Weight 356.3758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BIS(2-AMINOETHYLAMINO)-5,8-DIHYDROXYANTHRACENE-9,10-DIONE

SMILES

NCCNC1=CC=C(NCCN)C2=C1C(=O)C3=C(C2=O)C(O)=CC=C3O

InChI

InChIKey=CLVFWRBVFBUDQU-UHFFFAOYSA-N
InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2

HIDE SMILES / InChI

Molecular Formula C18H20N4O4
Molecular Weight 356.3758
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 Thu Jul 06 19:18:59 UTC 2023
Edited
by admin
on Thu Jul 06 19:18:59 UTC 2023
Record UNII
OZX2BS7RJ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BIS(2-AMINOETHYLAMINO)-5,8-DIHYDROXYANTHRACENE-9,10-DIONE
Systematic Name English
NSC-645017
Code English
1,4-BIS((2-AMINOETHYL)AMINO)-5,8-DIHYDROXY-9,10-ANTHRACENEDIONE
Systematic Name English
9,10-ANTHRACENEDIONE, 1,4-BIS((2-AMINOETHYL)AMINO)-5,8-DIHYDROXY-
Systematic Name English
Code System Code Type Description
CAS
96555-65-6
Created by admin on Thu Jul 06 19:18:59 UTC 2023 , Edited by admin on Thu Jul 06 19:18:59 UTC 2023
PRIMARY SCIFINDER
FDA UNII
OZX2BS7RJ6
Created by admin on Thu Jul 06 19:18:59 UTC 2023 , Edited by admin on Thu Jul 06 19:18:59 UTC 2023
PRIMARY
NSC
645017
Created by admin on Thu Jul 06 19:18:59 UTC 2023 , Edited by admin on Thu Jul 06 19:18:59 UTC 2023
PRIMARY
PUBCHEM
125982
Created by admin on Thu Jul 06 19:18:59 UTC 2023 , Edited by admin on Thu Jul 06 19:18:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID80242325
Created by admin on Thu Jul 06 19:18:59 UTC 2023 , Edited by admin on Thu Jul 06 19:18:59 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
Mediated thru N-dealklation.