Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H16N2O2.ClH |
| Molecular Weight | 268.739 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCOC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12
InChI
InChIKey=PESYCVVSLYSXAK-MERQFXBCSA-N
InChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/t11-;/m0./s1
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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 12:54:39 GMT 2023
by
admin
on
Sat Dec 16 12:54:39 GMT 2023
|
| Record UNII |
Q96A44MQ87
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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134519
Created by
admin on Sat Dec 16 12:54:39 GMT 2023 , Edited by admin on Sat Dec 16 12:54:39 GMT 2023
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220-786-0
Created by
admin on Sat Dec 16 12:54:39 GMT 2023 , Edited by admin on Sat Dec 16 12:54:39 GMT 2023
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2899-28-7
Created by
admin on Sat Dec 16 12:54:39 GMT 2023 , Edited by admin on Sat Dec 16 12:54:39 GMT 2023
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401579
Created by
admin on Sat Dec 16 12:54:39 GMT 2023 , Edited by admin on Sat Dec 16 12:54:39 GMT 2023
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PRIMARY | |||
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Q96A44MQ87
Created by
admin on Sat Dec 16 12:54:39 GMT 2023 , Edited by admin on Sat Dec 16 12:54:39 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
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RACEMATE -> ENANTIOMER |
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