WR-27653 NAPHTHALENE-1,5-DISULFONATE DISODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H36BrN3O2.C10H6O6S2.2Na
Molecular Weight	762.683
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of WR-27653 NAPHTHALENE-1,5-DISULFONATE DISODIUM

Structure Search

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2S([O-])(=O)=O.CCN(CC)CCN(CCN(CC)CC)C3=CC(OC)=C(OC)C=C3Br

InChI

InChIKey=FEIPVLITWLAXRT-UHFFFAOYSA-L

InChI=1S/C20H36BrN3O2.C10H8O6S2.2Na/c1-7-22(8-2)11-13-24(14-12-23(9-3)10-4)18-16-20(26-6)19(25-5)15-17(18)21;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h15-16H,7-14H2,1-6H3;1-6H,(H,11,12,13)(H,14,15,16);;/q;;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C10H6O6S2
Molecular Weight	286.281
Charge	-2
Count

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

Molecular Formula	C20H36BrN3O2
Molecular Weight	430.423
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 `Fri Dec 15 15:11:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:11:27 GMT 2023`
Record UNII	UU4EL92H9S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WR-27653 NAPHTHALENE-1,5-DISULFONATE DISODIUM

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT, COMPD. WITH N-(2-BROMO-4,5-DIMETHOXYPHENYL)-N-(2-(DIETHYLAMINO)ETHYL)-N',N'-DIETHYL-1,2-ETHANEDIAMINE (1:1)

Systematic Name

English

RC-12 NAPHTHALENE-1,5-DISULFONATE DISODIUM

Code

English

Code System Code Type Description

EPA CompTox

DTXSID80274924

Created by admin on Fri Dec 15 15:11:27 GMT 2023 , Edited by admin on Fri Dec 15 15:11:27 GMT 2023

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FDA UNII

UU4EL92H9S

Created by admin on Fri Dec 15 15:11:27 GMT 2023 , Edited by admin on Fri Dec 15 15:11:27 GMT 2023

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PUBCHEM

31758

Created by admin on Fri Dec 15 15:11:27 GMT 2023 , Edited by admin on Fri Dec 15 15:11:27 GMT 2023

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CAS

23255-05-2

Created by admin on Fri Dec 15 15:11:27 GMT 2023 , Edited by admin on Fri Dec 15 15:11:27 GMT 2023

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Related Record Type Details


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WR-27653

PARENT -> SALT/SOLVATE