DISODIUM 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H44N14O10S2.2Na
Molecular Weight	1014.996
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONATE

Structure Search

SMILES

[Na+].[Na+].NC(=O)CCN(CCO)C1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(=NC(NC6=CC=CC=C6)=N5)N(CCO)CCC(N)=O)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1

InChI

InChIKey=KXZDXBWYWMOFCR-YHPRVSEPSA-L

InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/b12-11+;;

HIDE SMILES / InChI

Molecular Formula	C42H44N14O10S2
Molecular Weight	969.017
Charge	-2
Count

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

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 08:38:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:38 GMT 2023`
Record UNII	30I2S866LK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONATE

Common Name

English

2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT

Systematic Name

English

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

Systematic Name

English

BENZENESULFONIC ACID, 2,2'-(1E)-1,2-ETHENEDIYLBIS(5-((4-((3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, SODIUM SALT (1:2)

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

248-420-5