Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H21ClN9O18S5.5Na |
| Molecular Weight | 1094.253 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].CCOCCOC1=NC(NC2=CC=C(C(=C2)\N=N\C3=C(O)C4=C(N)C(\N=N\C5=CC(=CC=C5S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C4C=C3S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=NC(Cl)=N1
InChI
InChIKey=OHKMYCSVSRZSEM-ILTVECNASA-I
InChI=1S/C29H26ClN9O18S5.5Na/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49;;;;;/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35);;;;;/q;5*+1/p-5/b38-37+,39-36+;;;;;
| Molecular Formula | C29H21ClN9O18S5 |
| Molecular Weight | 979.305 |
| Charge | -5 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| 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
Edited
Wed Apr 02 21:17:27 GMT 2025
by
admin
on
Wed Apr 02 21:17:27 GMT 2025
|
| Record UNII |
CW9745P8XR
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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83137-14-8
Created by
admin on Wed Apr 02 21:17:27 GMT 2025 , Edited by admin on Wed Apr 02 21:17:27 GMT 2025
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CW9745P8XR
Created by
admin on Wed Apr 02 21:17:27 GMT 2025 , Edited by admin on Wed Apr 02 21:17:27 GMT 2025
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DTXSID40890402
Created by
admin on Wed Apr 02 21:17:27 GMT 2025 , Edited by admin on Wed Apr 02 21:17:27 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 4-Amino-6-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid](/img/a0381106-5c5d-4b18-9150-7f36c6a206de.svg "Structure of 4-Amino-6-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid")