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Details

Stereochemistry ACHIRAL
Molecular Formula C25H11N2O4
Molecular Weight 403.3658
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)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)nc5=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 Tue Apr 01 18:53:22 GMT 2025
Edited
by admin
on Tue Apr 01 18:53:22 GMT 2025
Record UNII
Y452W42P22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methylanthra[2,1,9-def:6,5,10-d'e'f?]diisoquinoline-1,3,8,10(2H,9H)-tetrone
Preferred Name English
Anthra[2,1,9-def:6,5,10-d'e'f?]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
105969
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
267-574-4
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID7070767
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
CAS
67892-42-6
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY
FDA UNII
Y452W42P22
Created by admin on Tue Apr 01 18:53:22 GMT 2025 , Edited by admin on Tue Apr 01 18:53:22 GMT 2025
PRIMARY