Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H19N3O.C4H4O4 |
| Molecular Weight | 361.3923 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CN(C)CCN(CC1=CC=CO1)C2=NC=CC=C2
InChI
InChIKey=WSWXPPBXSUYAAC-WLHGVMLRSA-N
InChI=1S/C14H19N3O.C4H4O4/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;5-3(6)1-2-4(7)8/h3-8,11H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C14H19N3O |
| Molecular Weight | 245.3202 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Mon Mar 31 17:49:06 GMT 2025
by
admin
on
Mon Mar 31 17:49:06 GMT 2025
|
| Record UNII |
O1L2MDO7MS
|
| Record Status |
Validated (UNII)
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| Record Version |
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6433437
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5429-41-4
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admin on Mon Mar 31 17:49:06 GMT 2025 , Edited by admin on Mon Mar 31 17:49:06 GMT 2025
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m821
Created by
admin on Mon Mar 31 17:49:06 GMT 2025 , Edited by admin on Mon Mar 31 17:49:06 GMT 2025
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PRIMARY | Merck Index | ||
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14136
Created by
admin on Mon Mar 31 17:49:06 GMT 2025 , Edited by admin on Mon Mar 31 17:49:06 GMT 2025
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O1L2MDO7MS
Created by
admin on Mon Mar 31 17:49:06 GMT 2025 , Edited by admin on Mon Mar 31 17:49:06 GMT 2025
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |