Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H21ClN2.C4H4O4 |
| Molecular Weight | 440.919 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=CC=C(Cl)C=C3CCC4=CC=CN=C24
InChI
InChIKey=AVICQRAJOYIFCJ-BTJKTKAUSA-N
InChI=1S/C20H21ClN2.C4H4O4/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19;5-3(6)1-2-4(7)8/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| 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 |
| Molecular Formula | C20H21ClN2 |
| Molecular Weight | 324.847 |
| 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 05:44:09 UTC 2023
by
admin
on
Sat Dec 16 05:44:09 UTC 2023
|
| Record UNII |
BJ1UHM9XPN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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137321725
Created by
admin on Sat Dec 16 05:44:09 UTC 2023 , Edited by admin on Sat Dec 16 05:44:09 UTC 2023
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PRIMARY | |||
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BJ1UHM9XPN
Created by
admin on Sat Dec 16 05:44:09 UTC 2023 , Edited by admin on Sat Dec 16 05:44:09 UTC 2023
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23294-02-2
Created by
admin on Sat Dec 16 05:44:09 UTC 2023 , Edited by admin on Sat Dec 16 05:44:09 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 |
