Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H18N2.C4H4O4 |
| Molecular Weight | 354.3997 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CC(C2=CC=CC=C2)C3=C(C1)C(N)=CC=C3
InChI
InChIKey=GEOCVSMCLVIOEV-BTJKTKAUSA-N
InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C16H18N2 |
| Molecular Weight | 238.3275 |
| 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
Fri Dec 15 16:19:49 UTC 2023
by
admin
on
Fri Dec 15 16:19:49 UTC 2023
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| Record UNII |
76S8CUH5MR
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 16:19:49 UTC 2023 , Edited by admin on Fri Dec 15 16:19:49 UTC 2023
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| Code System | Code | Type | Description | ||
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289114
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100000080020
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CHEMBL273575
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251-223-7
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m8030
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admin on Fri Dec 15 16:19:49 UTC 2023 , Edited by admin on Fri Dec 15 16:19:49 UTC 2023
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PRIMARY | Merck Index | ||
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262302
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32795-47-4
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5358907
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C73808
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DBSALT002854
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DTXSID1045790
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SUB14663MIG
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76S8CUH5MR
Created by
admin on Fri Dec 15 16:19:49 UTC 2023 , Edited by admin on Fri Dec 15 16:19:49 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |