Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H33F3N2O2.C6H6O3S |
| Molecular Weight | 620.723 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.C[C@@H]2[C@H]3CN(CCC4(CCCCC4)C(O)=O)CC[C@@H]3CC5=C2C6=C(N5)C=CC(=C6)C(F)(F)F
InChI
InChIKey=IBDOVKSLMMFQPJ-IUPOGUASSA-N
InChI=1S/C26H33F3N2O2.C6H6O3S/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22;7-10(8,9)6-4-2-1-3-5-6/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33);1-5H,(H,7,8,9)/t16-,17-,20-;/m1./s1
| Molecular Formula | C26H33F3N2O2 |
| Molecular Weight | 462.5476 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| 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 18:35:45 GMT 2025
by
admin
on
Mon Mar 31 18:35:45 GMT 2025
|
| Record UNII |
OGB0T3AG23
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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OGB0T3AG23
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23642854
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DTXSID20142976
Created by
admin on Mon Mar 31 18:35:45 GMT 2025 , Edited by admin on Mon Mar 31 18:35:45 GMT 2025
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1001438-96-5
Created by
admin on Mon Mar 31 18:35:45 GMT 2025 , Edited by admin on Mon Mar 31 18:35:45 GMT 2025
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