Procion Red HE-3B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C44H24Cl2N14O20S6.6Na
Molecular Weight	1469.978
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OC1=C(\N=N\C2=C(C=CC=C2)S([O-])(=O)=O)C(=CC3=CC(=CC(NC4=NC(Cl)=NC(NC5=CC=C(NC6=NC(Cl)=NC(NC7=CC(=CC8=C7C(O)=C(\N=N\C9=C(C=CC=C9)S([O-])(=O)=O)C(=C8)S([O-])(=O)=O)S([O-])(=O)=O)=N6)C=C5)=N4)=C13)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=JCHWMQZZTLGTJZ-GIWZGSJSSA-H

InChI=1S/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6/b59-57+,60-58+;;;;;;

HIDE SMILES / InChI

Molecular Formula	C44H24Cl2N14O20S6
Molecular Weight	1332.039
Charge	-6
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 `Mon Mar 31 21:53:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:47 GMT 2025`
Record UNII	C8DPS9SGD8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Reactive Red KE 3B

Preferred Name

English

Procion Red HE-3B

Common Name

English

5,5'-(1,4-Phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2- diyl)imino)bis(4-hydroxy-3-((2-sulfophenyl)azo)-2,7- naphthalenedisulfonic acid), hexasodium salt

Common Name

English

2,7-Naphthalenedisulfonic acid, 4,4?-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:6)

Systematic Name

English

Hexasodium 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5- triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2- sulphonatophenyl)azo)naphthalene-2,7-disulphonate)

Common Name

English

2,7-Naphthalenedisulfonic acid, 4,4?-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt

Systematic Name

English

4,4'-(1,4-Phenylenebis(imino(6-chloro-1,3,5-triazine-4,2- diyl)imino))bis(5-hydroxy-6-((2-sulfophenyl)azo)-2,7- naphthalenedisulfonic acid), hexasodium salt

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

269-284-3

Created by admin on Mon Mar 31 21:53:47 GMT 2025 , Edited by admin on Mon Mar 31 21:53:47 GMT 2025

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EPA CompTox

DTXSID50889948

Created by admin on Mon Mar 31 21:53:47 GMT 2025 , Edited by admin on Mon Mar 31 21:53:47 GMT 2025

PRIMARY

CAS

68214-04-0

Created by admin on Mon Mar 31 21:53:47 GMT 2025 , Edited by admin on Mon Mar 31 21:53:47 GMT 2025

PRIMARY

FDA UNII

C8DPS9SGD8

Created by admin on Mon Mar 31 21:53:47 GMT 2025 , Edited by admin on Mon Mar 31 21:53:47 GMT 2025

PRIMARY

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