(2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H26N3O3.CH3O4S
Molecular Weight	527.589
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulfate

Structure Search

SMILES

COS([O-])(=O)=O.C[N+](C)(C)CCOC1=CC=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(N)C=C2)C=C1

InChI

InChIKey=VIMBCPUQCVRMQJ-UHFFFAOYSA-N

InChI=1S/C25H25N3O3.CH4O4S/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;1-5-6(2,3)4/h4-13H,14-15H2,1-3H3,(H2-,26,27,29,30);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C25H26N3O3
Molecular Weight	416.4922
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
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 16:54:32 GMT 2025` Edited by `admin` on `Tue Apr 01 16:54:32 GMT 2025`
Record UNII	AAJ5J2BN2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulphate

Preferred Name

English

(2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulfate

Systematic Name

English

Ethanaminium, 2-[4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]phenoxy]-N,N,N-trimethyl-, methyl sulfate

Systematic Name

English

Ethanaminium, 2-[4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]phenoxy]-N,N,N-trimethyl-, methyl sulfate (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

AAJ5J2BN2T