Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H31N2O6S2.Na |
| Molecular Weight | 566.665 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=CC=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=SJEYSFABYSGQBG-UHFFFAOYSA-M
InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
| Molecular Formula | C27H31N2O6S2 |
| Molecular Weight | 543.675 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| 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 17:53:55 GMT 2025
by
admin
on
Mon Mar 31 17:53:55 GMT 2025
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| Record UNII |
FH1929ICIT
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C461
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admin on Mon Mar 31 17:53:55 GMT 2025 , Edited by admin on Mon Mar 31 17:53:55 GMT 2025
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| Code System | Code | Type | Description | ||
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204-934-1
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FH1929ICIT
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DTXSID3026065
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5476
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129-17-9
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C008769
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FH1929ICIT
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SUB15435MIG
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100000089079
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32950
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m10387
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8507
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C77578
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CHEMBL1615783
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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