Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.698 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@]1(CCC[C@@H](O)C1=O)C2=C(Cl)C=CC=C2
InChI
InChIKey=CFBVGSWSOJBYGC-ZYHUDNBSSA-N
InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.698 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:14:53 UTC 2023
by
admin
on
Sat Dec 16 19:14:53 UTC 2023
|
| Record UNII |
HB3B4A37KE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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89504167
Created by
admin on Sat Dec 16 19:14:53 UTC 2023 , Edited by admin on Sat Dec 16 19:14:53 UTC 2023
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PRIMARY | |||
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HB3B4A37KE
Created by
admin on Sat Dec 16 19:14:53 UTC 2023 , Edited by admin on Sat Dec 16 19:14:53 UTC 2023
|
PRIMARY | |||
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111056-64-5
Created by
admin on Sat Dec 16 19:14:53 UTC 2023 , Edited by admin on Sat Dec 16 19:14:53 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
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