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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H42N14O16S4.4Na
Molecular Weight	1219.086
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TETRASODIUM 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO)-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO))BENZENESULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].NC(=O)CCN(CCO)C1=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(NC5=CC=C(C=C5)S([O-])(=O)=O)=NC(=N4)N(CCO)CCC(N)=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=BHMCWKHQTHVFST-MBCFVHIPSA-J

InChI=1S/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(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/b2-1+;;;;

HIDE SMILES / InChI

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

Molecular Formula	C42H42N14O16S4
Molecular Weight	1127.127
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:13:32 GMT 2023` Edited by `admin` on `Sat Dec 16 08:13:32 GMT 2023`
Record UNII	7H6IP22N91
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Common Name

English

BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO)-6-((4-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, SODIUM SALT (1:4)

Systematic Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID5029348