Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C15H13N3O2.C6H15NO3 |
| Molecular Weight | 416.4708 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCN(CCO)CCO.CN1C=CC=C1C(=O)C(C#N)C(=O)NC2=CC=CC=C2
InChI
InChIKey=HZXCDXNTMAAZIL-UHFFFAOYSA-N
InChI=1S/C15H13N3O2.C6H15NO3/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11;8-4-1-7(2-5-9)3-6-10/h2-9,12H,1H3,(H,17,20);8-10H,1-6H2
| Molecular Formula | C6H15NO3 |
| Molecular Weight | 149.1882 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.2826 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 14:59:03 UTC 2023
by
admin
on
Fri Dec 15 14:59:03 UTC 2023
|
| Record UNII |
QS47I8M51B
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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127553
Created by
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DTXSID20998859
Created by
admin on Fri Dec 15 14:59:03 UTC 2023 , Edited by admin on Fri Dec 15 14:59:03 UTC 2023
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77639-70-4
Created by
admin on Fri Dec 15 14:59:03 UTC 2023 , Edited by admin on Fri Dec 15 14:59:03 UTC 2023
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QS47I8M51B
Created by
admin on Fri Dec 15 14:59:03 UTC 2023 , Edited by admin on Fri Dec 15 14:59:03 UTC 2023
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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 |