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Details

Stereochemistry ACHIRAL
Molecular Formula C25H12N2O4
Molecular Weight 404.3738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2-methyl-

SMILES

CN1C(=O)C2=CC=C3C4=C5C(=CC=C6C(=O)NC(=O)C(C=C4)=C56)C7=C3C2=C(C=C7)C1=O

InChI

InChIKey=ZXEZSSQZWHFUTK-UHFFFAOYSA-N
InChI=1S/C25H12N2O4/c1-27-24(30)16-8-4-12-10-2-6-14-20-15(23(29)26-22(14)28)7-3-11(18(10)20)13-5-9-17(25(27)31)21(16)19(12)13/h2-9H,1H3,(H,26,28,29)

HIDE SMILES / InChI

Molecular Formula C25H11N2O4
Molecular Weight 403.3658
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 12:18:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:31 GMT 2023
Record UNII
Y452W42P22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2-methyl-
Systematic Name English
2-Methylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
Systematic Name English
Code System Code Type Description
PUBCHEM
105969
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-574-4
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070767
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
CAS
67892-42-6
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
FDA UNII
Y452W42P22
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY