DISODIUM 4,4'-BIS(4-ANILINO-6-((2-METHOXYETHYL)AMINO)-S-TRIAZIN-2-YLAMINO)STILBENE-2,2'-DISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H38N12O8S2.2Na
Molecular Weight	900.893
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-METHOXYETHYL)AMINO)-S-TRIAZIN-2-YLAMINO)STILBENE-2,2'-DISULFONATE

Structure Search

SMILES

[Na+].[Na+].COCCNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NCCOC)=NC(NC6=CC=CC=C6)=N5)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1

InChI

InChIKey=DZZFQJSTMHDDQG-QDBORUFSSA-L

InChI=1S/C38H40N12O8S2.2Na/c1-57-21-19-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(23-29)59(51,52)53)13-14-26-16-18-30(24-32(26)60(54,55)56)44-38-48-34(40-20-22-58-2)46-36(50-38)42-28-11-7-4-8-12-28;;/h3-18,23-24H,19-22H2,1-2H3,(H,51,52,53)(H,54,55,56)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50);;/q;2*+1/p-2/b14-13+;;

HIDE SMILES / InChI

Molecular Formula	C38H38N12O8S2
Molecular Weight	854.914
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 08:38:17 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:17 GMT 2023`
Record UNII	BPB45S270L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 4,4'-BIS(4-ANILINO-6-((2-METHOXYETHYL)AMINO)-S-TRIAZIN-2-YLAMINO)STILBENE-2,2'-DISULFONATE

Common Name

English

DISODIUM 4,4'-BIS(2-ANILINO-4-(2-METHOXYETHYL)AMINO-1,3,5-TRIAZIN-6-YLAMINO)-2,2'-STILBENEDISULFONATE

Systematic Name

English

DISODIUM 4,4'-BIS((4-ANILINO-6-((2-METHOXYETHYL)AMINO)-S-TRIAZIN-2-YLAMINO))STILBENE-2,2'-DISULFONATE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

3271-19-0

Created by admin on Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023

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FDA UNII

BPB45S270L

Created by admin on Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023

PRIMARY

PUBCHEM

6451533

Created by admin on Sat Dec 16 08:38:17 GMT 2023 , Edited by admin on Sat Dec 16 08:38:17 GMT 2023

PRIMARY

Related Record Type Details


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2,2'-(1,2-ETHENEDIYL)BIS(5-((4-((2-METHOXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)BENZENESULFONIC ACID)

PARENT -> SALT/SOLVATE