Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C15H17ClN2.C4H4O4 |
| Molecular Weight | 376.834 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CNCCC(C1=CC=C(Cl)C=C1)C2=CC=CC=N2
InChI
InChIKey=MGNXGZAZRYTQMW-BTJKTKAUSA-N
InChI=1S/C15H17ClN2.C4H4O4/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12;5-3(6)1-2-4(7)8/h2-8,10,14,17H,9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C15H17ClN2 |
| Molecular Weight | 260.762 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:56:07 UTC 2023
by
admin
on
Sat Dec 16 19:56:07 UTC 2023
|
| Record UNII |
KQ7AJ87EWZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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22630-25-7
Created by
admin on Sat Dec 16 19:56:07 UTC 2023 , Edited by admin on Sat Dec 16 19:56:07 UTC 2023
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KQ7AJ87EWZ
Created by
admin on Sat Dec 16 19:56:07 UTC 2023 , Edited by admin on Sat Dec 16 19:56:07 UTC 2023
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46781155
Created by
admin on Sat Dec 16 19:56:07 UTC 2023 , Edited by admin on Sat Dec 16 19:56:07 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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