Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H17N3.2C4H4O4 |
| Molecular Weight | 459.4492 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2
InChI
InChIKey=HNSITEGFVDCKMF-SPIKMXEPSA-N
InChI=1S/C14H17N3.2C4H4O4/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14;2*5-3(6)1-2-4(7)8/h2-7H,8-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*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 | C14H17N3 |
| Molecular Weight | 227.3049 |
| 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
Mon Mar 31 21:59:30 GMT 2025
by
admin
on
Mon Mar 31 21:59:30 GMT 2025
|
| Record UNII |
3HE4V6NQ2I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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3HE4V6NQ2I
Created by
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DTXSID9042623
Created by
admin on Mon Mar 31 21:59:30 GMT 2025 , Edited by admin on Mon Mar 31 21:59:30 GMT 2025
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171205-17-7
Created by
admin on Mon Mar 31 21:59:30 GMT 2025 , Edited by admin on Mon Mar 31 21:59:30 GMT 2025
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11957670
Created by
admin on Mon Mar 31 21:59:30 GMT 2025 , Edited by admin on Mon Mar 31 21:59:30 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
