TETRASODIUM 4,4'-BIS(4-(4-SULFOPHENYLAMINO)-6-(BIS(2-HYDROXYPROPYL)AMINO)-S-TRIAZIN-2-YL)AMINO-2,2-STILBENEDISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C44H48N12O16S4.4Na
Molecular Weight	1221.142
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TETRASODIUM 4,4'-BIS(4-(4-SULFOPHENYLAMINO)-6-(BIS(2-HYDROXYPROPYL)AMINO)-S-TRIAZIN-2-YL)AMINO-2,2-STILBENEDISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)C1=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(NC5=CC=C(C=C5)S([O-])(=O)=O)=NC(=N4)N(CC(C)O)CC(C)O)C=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)=NC(NC6=CC=C(C=C6)S([O-])(=O)=O)=N1

InChI

InChIKey=NTHKAJBKFNFLHL-WPYDVODASA-J

InChI=1S/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b6-5+;;;;

HIDE SMILES / InChI

Molecular Formula	C44H48N12O16S4
Molecular Weight	1129.183
Charge	-4
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 08:26:16 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:16 GMT 2023`
Record UNII	1IQ37U7KFJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRASODIUM 4,4'-BIS(4-(4-SULFOPHENYLAMINO)-6-(BIS(2-HYDROXYPROPYL)AMINO)-S-TRIAZIN-2-YL)AMINO-2,2-STILBENEDISULFONATE

Common Name

English

TETRASODIUM 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-(BIS(2-HYDROXYPROPYL)AMINO)-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)BENZENESULFONATE)

Common Name

English

BLANKOPHOR BRU

Brand Name

English

BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-(BIS(2-HYDROXYPROPYL)AMINO)-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, TETRASODIUM SALT

Systematic Name

English

TETRASODIUM 4,4'-BIS((4-(BIS(2-HYDROXYPROPYL)AMINO)-6-((4-SULPHONATOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-STILBENE-2,2'-DISULPHONATE

Systematic Name

English

2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-(BIS(2-HYDROXYPROPYL)AMINO)-6-(P-SULFOANILINO)-S-TRIAZIN-2-YL)AMINO)-, TETRASODIUM SALT

Systematic Name

English

TETRASODIUM 2,2'-ETHENE-1,2-DIYLBIS(5-((4-(BIS(2-HYDROXYPROPYL)AMINO)-6-((4-SULFONATOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)BENZENESULFONATE)

Systematic Name

English

Code System Code Type Description

CAS

175666-83-8