Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H13N.C4H6O4 |
| Molecular Weight | 253.2943 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.C[C@@H](N)CC1=CC=CC=C1
InChI
InChIKey=HVANWDSTOFDWRV-DDWIOCJRSA-N
InChI=1S/C9H13N.C4H6O4/c1-8(10)7-9-5-3-2-4-6-9;5-3(6)1-2-4(7)8/h2-6,8H,7,10H2,1H3;1-2H2,(H,5,6)(H,7,8)/t8-;/m1./s1
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 15:11:24 UTC 2023
by
admin
on
Fri Dec 15 15:11:24 UTC 2023
|
| Record UNII |
STC9O9MD79
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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STC9O9MD79
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY | |||
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5634-40-2
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY | |||
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DTXSID50971771
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY | |||
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C170115
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY | |||
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68638
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY | |||
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CHEMBL19393
Created by
admin on Fri Dec 15 15:11:24 UTC 2023 , Edited by admin on Fri Dec 15 15:11:24 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |