Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C40H38N12O22S6.6Na |
| Molecular Weight | 1369.126 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OCCN(CCO)C1=NC(NC2=CC(=CC=C2S([O-])(=O)=O)S([O-])(=O)=O)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(=NC(NC6=CC(=CC=C6S([O-])(=O)=O)S([O-])(=O)=O)=N5)N(CCO)CCO)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1
InChI
InChIKey=ZECOZQHKQDLCBT-IRTUOLCXSA-H
InChI=1S/C40H44N12O22S6.6Na/c53-15-11-51(12-16-54)39-47-35(45-37(49-39)43-29-21-27(75(57,58)59)7-9-31(29)77(63,64)65)41-25-5-3-23(33(19-25)79(69,70)71)1-2-24-4-6-26(20-34(24)80(72,73)74)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-22-28(76(60,61)62)8-10-32(30)78(66,67)68;;;;;;/h1-10,19-22,53-56H,11-18H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/b2-1+;;;;;;
| Molecular Formula | C40H38N12O22S6 |
| Molecular Weight | 1231.187 |
| Charge | -6 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| 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
Mon Mar 31 22:01:33 GMT 2025
by
admin
on
Mon Mar 31 22:01:33 GMT 2025
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| Record UNII |
41143UBZ6N
|
| Record Status |
Validated (UNII)
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| Record Version |
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