Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H15N3.C4H4O4 |
| Molecular Weight | 329.3505 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.C1CN(CCN1)C2=CC=C3C=CC=CC3=N2
InChI
InChIKey=QYJJDHZHSCTBII-BTJKTKAUSA-N
InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;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 | C13H15N3 |
| Molecular Weight | 213.2783 |
| 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 16:01:48 UTC 2023
by
admin
on
Fri Dec 15 16:01:48 UTC 2023
|
| Record UNII |
JY444CK9IG
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C47794
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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| Code System | Code | Type | Description | ||
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5786-68-5
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DTXSID3045190
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admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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758469
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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C66502
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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CHEMBL18772
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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JY444CK9IG
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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227-314-2
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 UTC 2023
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5702242
Created by
admin on Fri Dec 15 16:01:48 UTC 2023 , Edited by admin on Fri Dec 15 16:01:48 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 |