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Details

Stereochemistry MIXED
Molecular Formula C25H28N3O3
Molecular Weight 418.5081
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2-[4-[(4-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]phenoxy]-N,N,N-trimethylethanaminium

SMILES

C[N+](C)(C)CCOC1=CC=C(NC2=C3C(=O)C4C=CC=CC4C(=O)C3=C(N)C=C2)C=C1

InChI

InChIKey=XXTHPRPSZBERHM-UHFFFAOYSA-O
InChI=1S/C25H27N3O3/c1-28(2,3)14-15-31-17-10-8-16(9-11-17)27-21-13-12-20(26)22-23(21)25(30)19-7-5-4-6-18(19)24(22)29/h4-13,18-19H,14-15H2,1-3H3,(H2-,26,27,29,30)/p+1

HIDE SMILES / InChI

Molecular Formula C25H28N3O3
Molecular Weight 418.5081
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:49:49 GMT 2025
Edited
by admin
on Wed Apr 02 18:49:49 GMT 2025
Record UNII
KHN765Q89D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethanaminium, 2-[4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]phenoxy]-N,N,N-trimethyl-
Preferred Name English
2-[4-[(4-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]phenoxy]-N,N,N-trimethylethanaminium
Systematic Name English
Code System Code Type Description
CAS
84030-02-4
Created by admin on Wed Apr 02 18:49:49 GMT 2025 , Edited by admin on Wed Apr 02 18:49:49 GMT 2025
PRIMARY
FDA UNII
KHN765Q89D
Created by admin on Wed Apr 02 18:49:49 GMT 2025 , Edited by admin on Wed Apr 02 18:49:49 GMT 2025
PRIMARY