Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H14N2O3.C6H14N2O2.2H2O |
| Molecular Weight | 464.5121 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.NCCCC[C@H](N)C(O)=O.OC(=O)COC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3
InChI
InChIKey=PSIKNBYUZWDTBM-QEJHLSQBSA-N
InChI=1S/C16H14N2O3.C6H14N2O2.2H2O/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10;;/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10);2*1H2/t;5-;;/m.0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H14N2O3 |
| Molecular Weight | 282.294 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H14N2O2 |
| Molecular Weight | 146.1876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:15:26 UTC 2023
by
admin
on
Fri Dec 15 15:15:26 UTC 2023
|
| Record UNII |
MOQ12WCD7V
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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70401396
Created by
admin on Fri Dec 15 15:15:26 UTC 2023 , Edited by admin on Fri Dec 15 15:15:26 UTC 2023
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PRIMARY | |||
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300000029337
Created by
admin on Fri Dec 15 15:15:26 UTC 2023 , Edited by admin on Fri Dec 15 15:15:26 UTC 2023
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PRIMARY | |||
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MOQ12WCD7V
Created by
admin on Fri Dec 15 15:15:26 UTC 2023 , Edited by admin on Fri Dec 15 15:15:26 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |