1,5-DIAMINO-2-(4-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)PHENYL)-4,8-DIHYDROXYANTHRAQUINONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H31FN6O5
Molecular Weight	586.6134
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,5-DIAMINO-2-(4-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)PHENYL)-4,8-DIHYDROXYANTHRAQUINONE

Structure Search

SMILES

CCCCN(CCCC)C1=NC(F)=NC(OC2=CC=C(C=C2)C3=CC(O)=C4C(=O)C5=C(C(O)=CC=C5N)C(=O)C4=C3N)=N1

InChI

InChIKey=QHZWNQUCVXXIES-UHFFFAOYSA-N

InChI=1S/C31H31FN6O5/c1-3-5-13-38(14-6-4-2)30-35-29(32)36-31(37-30)43-17-9-7-16(8-10-17)18-15-21(40)24-25(26(18)34)28(42)23-20(39)12-11-19(33)22(23)27(24)41/h7-12,15,39-40H,3-6,13-14,33-34H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C31H31FN6O5
Molecular Weight	586.6134
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 18:48:43 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:43 GMT 2025`
Record UNII	S9924SQ424
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

9,10-ANTHRACENEDIONE, 1,5-DIAMINO-2-(4-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)PHENYL)-4,8-DIHYDROXY-

Preferred Name

English

1,5-DIAMINO-2-(4-((4-(DIBUTYLAMINO)-6-FLUORO-1,3,5-TRIAZIN-2-YL)OXY)PHENYL)-4,8-DIHYDROXYANTHRAQUINONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50240898

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

PRIMARY

CAS

94160-37-9

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

PRIMARY

PUBCHEM

16206040

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

PRIMARY

FDA UNII

S9924SQ424

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

PRIMARY

ECHA (EC/EINECS)

303-321-7

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

PRIMARY