Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H17N3O2.C4H6O6 |
| Molecular Weight | 385.3691 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.N[C@H]([C@@H](O)C1=CC=NC=C1)C(=O)N2CCCC2
InChI
InChIKey=MFRRXVSVLFRNCO-NBCXFSEXSA-N
InChI=1S/C12H17N3O2.C4H6O6/c13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;5-1(3(7)8)2(6)4(9)10/h3-6,10-11,16H,1-2,7-8,13H2;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11+;1-,2-/m11/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.2823 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:11:57 GMT 2025
by
admin
on
Mon Mar 31 19:11:57 GMT 2025
|
| Record UNII |
1597R94F8D
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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76962088
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1597R94F8D
Created by
admin on Mon Mar 31 19:11:57 GMT 2025 , Edited by admin on Mon Mar 31 19:11:57 GMT 2025
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1658410-90-2
Created by
admin on Mon Mar 31 19:11:57 GMT 2025 , Edited by admin on Mon Mar 31 19:11:57 GMT 2025
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300000051258
Created by
admin on Mon Mar 31 19:11:57 GMT 2025 , Edited by admin on Mon Mar 31 19:11:57 GMT 2025
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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