Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H27NO5S |
| Molecular Weight | 489.583 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC=C(C=C1)C2=C(C(=O)C3=CC=C(OCC[N+]4([O-])CCCCC4)C=C3)C5=C(S2)C=C(O)C=C5
InChI
InChIKey=KNADIZJVEMEXLS-UHFFFAOYSA-N
InChI=1S/C28H27NO5S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)35-28)27(32)19-6-11-23(12-7-19)34-17-16-29(33)14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
| Molecular Formula | C28H27NO5S |
| Molecular Weight | 489.583 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:46:28 GMT 2025
by
admin
on
Mon Mar 31 21:46:28 GMT 2025
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| Record UNII |
X1BRV5W297
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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195454-31-0
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X1BRV5W297
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1598234
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DTXSID50173218
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15484782
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admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
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