Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C38H25N6O12S3.3Na |
| Molecular Weight | 922.802 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].CC1=CC=CC=C1\N=N\C2=C(O)C3=C(C=C(NC(=O)NC4=CC=C5C(=C4)C=C(C(\N=N\C6=CC=C7C=C(C=CC7=C6)S([O-])(=O)=O)=C5O)S([O-])(=O)=O)C=C3)C=C2S([O-])(=O)=O
InChI
InChIKey=ATRALPSKQPQOTB-NHBKGLTJSA-K
InChI=1S/C38H28N6O12S3.3Na/c1-20-4-2-3-5-31(20)42-44-35-33(59(54,55)56)19-24-16-26(10-13-30(24)37(35)46)40-38(47)39-25-9-12-29-23(15-25)18-32(58(51,52)53)34(36(29)45)43-41-27-8-6-22-17-28(57(48,49)50)11-7-21(22)14-27;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b43-41+,44-42+;;;
| 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 |
| Molecular Formula | C38H25N6O12S3 |
| Molecular Weight | 853.833 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:50:41 GMT 2025
by
admin
on
Mon Mar 31 21:50:41 GMT 2025
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| Record UNII |
22G2CBI4TO
|
| Record Status |
Validated (UNII)
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| Record Version |
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229-273-6
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58057
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DTXSID20889551
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22G2CBI4TO
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6460-01-1
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admin on Mon Mar 31 21:50:41 GMT 2025 , Edited by admin on Mon Mar 31 21:50:41 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |