Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H31NO3.C11H8O3 |
| Molecular Weight | 545.6659 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C2=C(C=CC=C2)C=C1.CCN(CC)CC#CCOC(=O)C(O)(C3CCCCC3)C4=CC=CC=C4
InChI
InChIKey=SRVJTUJNFIQJMD-UHFFFAOYSA-N
InChI=1S/C22H31NO3.C11H8O3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1-6,12H,(H,13,14)
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.4864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.1794 |
| 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
Fri Dec 15 19:36:46 UTC 2023
by
admin
on
Fri Dec 15 19:36:46 UTC 2023
|
| Record UNII |
7425U24ZN4
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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7425U24ZN4
Created by
admin on Fri Dec 15 19:36:46 UTC 2023 , Edited by admin on Fri Dec 15 19:36:46 UTC 2023
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1447998-30-2
Created by
admin on Fri Dec 15 19:36:46 UTC 2023 , Edited by admin on Fri Dec 15 19:36:46 UTC 2023
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53477276
Created by
admin on Fri Dec 15 19:36:46 UTC 2023 , Edited by admin on Fri Dec 15 19:36:46 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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