1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 5-AMINO-2-(2-(DIMETHYLAMINO)ETHYL)-, N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17N3O3
Molecular Weight	299.3245
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 5-AMINO-2-(2-(DIMETHYLAMINO)ETHYL)-, N-OXIDE

Structure Search

SMILES

C[N+](C)([O-])CCN1C(=O)C2=CC(N)=CC3=CC=CC(C1=O)=C23

InChI

InChIKey=LJUFWPUIUNYNJK-UHFFFAOYSA-N

InChI=1S/C16H17N3O3/c1-19(2,22)7-6-18-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(18)21/h3-5,8-9H,6-7,17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C16H18N3O3
Molecular Weight	300.3324
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 17:11:18 UTC 2023` Edited by `admin` on `Sat Dec 16 17:11:18 UTC 2023`
Record UNII	BLW3994NJN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 5-AMINO-2-(2-(DIMETHYLAMINO)ETHYL)-, N-OXIDE

Systematic Name

English

AMONAFIDE N'-OXIDE METABOLITE

Common Name

English

2-(5-AMINO-1,3-DIOXO-1H-BENZO(DE)ISOQUINOLIN-2(3H)-YL)-N,N-DIMETHYLETHANAMINE OXIDE

Systematic Name

English

5-AMINO-2-(2-(DIMETHYLOXIDOAMINO)ETHYL)-1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE

Systematic Name

English

1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 5-AMINO-2-(2-(DIMETHYLOXIDOAMINO)ETHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

44430348

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID80659055

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

CAS

112726-97-3

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

FDA UNII

BLW3994NJN

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

Related Record Type Details


					1Q8D39N37L

AMONAFIDE

PARENT -> METABOLITE

Qualification:

URINE