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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H36N10O12S2.2Na
Molecular Weight	838.776
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[Na+].[Na+].COC1=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(=NC(OC)=N4)N(CCO)CCO)C=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)=NC(=N1)N(CCO)CCO

InChI

InChIKey=HYNVEGJIWYGFFL-CZEFNJPISA-L

InChI=1S/C30H38N10O12S2.2Na/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44;;/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2/b4-3+;;

HIDE SMILES / InChI

Molecular Formula	C30H36N10O12S2
Molecular Weight	792.797
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 12:43:14 GMT 2023` Edited by `admin` on `Sat Dec 16 12:43:14 GMT 2023`
Record UNII	65Z0DY4MEP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

NSC-306423

Code

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

65Z0DY4MEP