Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H15NO2.H2O |
| Molecular Weight | 235.279 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CCC1(CCC(=O)NC1=O)C2=CC=CC=C2
InChI
InChIKey=UIIRXSRRFRGPPE-UHFFFAOYSA-N
InChI=1S/C13H15NO2.H2O/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16;/h3-7H,2,8-9H2,1H3,(H,14,15,16);1H2
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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
Sat Dec 16 10:27:34 UTC 2023
by
admin
on
Sat Dec 16 10:27:34 UTC 2023
|
| Record UNII |
8C221G270E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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8C221G270E
Created by
admin on Sat Dec 16 10:27:34 UTC 2023 , Edited by admin on Sat Dec 16 10:27:34 UTC 2023
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PRIMARY | |||
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60490-74-6
Created by
admin on Sat Dec 16 10:27:34 UTC 2023 , Edited by admin on Sat Dec 16 10:27:34 UTC 2023
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PRIMARY | |||
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133065417
Created by
admin on Sat Dec 16 10:27:34 UTC 2023 , Edited by admin on Sat Dec 16 10:27:34 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |