Pontamine Diazo Red 5BL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H25N7O9S2.2Na
Molecular Weight	809.735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)C(=O)NC3=CC4=C(C=C3)C(O)=C(\N=N\C5=CC=C(C=C5)\N=N\C6=CC=C(C=C6)S([O-])(=O)=O)C(=C4)S([O-])(=O)=O

InChI

InChIKey=MOGBMBYPOADVPS-HARMDXJISA-L

InChI=1S/C36H27N7O9S2.2Na/c37-24-6-4-21(5-7-24)35(45)38-28-3-1-2-22(18-28)36(46)39-29-14-17-31-23(19-29)20-32(54(50,51)52)33(34(31)44)43-42-26-10-8-25(9-11-26)40-41-27-12-15-30(16-13-27)53(47,48)49;;/h1-20,44H,37H2,(H,38,45)(H,39,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b41-40+,43-42+;;

HIDE SMILES / InChI

Molecular Formula	C36H25N7O9S2
Molecular Weight	763.755
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
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 20:11:48 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:48 GMT 2025`
Record UNII	ZT3KTF6QL4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pontamine Diazo Red 5BL

Common Name

English

NSC-47767

Preferred Name

English

C.I. 28360

Common Name

English

2-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)

Systematic Name

English

2-Naphthalenesulfonic acid, 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, disodium salt

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40889497