Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H24N2O.C4H4O4 |
| Molecular Weight | 448.5109 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC3C4=CC=CN=C4C=CC5=C3C=CC=C5
InChI
InChIKey=XRNCBYGSTJBHHL-GTYVWWLYSA-N
InChI=1S/C22H24N2O.C4H4O4/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21;5-3(6)1-2-4(7)8/h2-8,11-12,16-18,22H,9-10,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,17+,18+,22?;
| Molecular Formula | C22H24N2O |
| Molecular Weight | 332.4388 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 19:31:43 GMT 2025
by
admin
on
Tue Apr 01 19:31:43 GMT 2025
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| Record UNII |
Z2T09C8X9T
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| Record Status |
Validated (UNII)
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| Record Version |
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Z2T09C8X9T
Created by
admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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6444789
Created by
admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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17929-04-3
Created by
admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |