Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C15H13N3O2.C4H11NO3 |
| Molecular Weight | 388.4177 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.CN1C=CC=C1C(=O)C(C#N)C(=O)NC2=CC=CC=C2
InChI
InChIKey=CPUJDORGQAJDCT-UHFFFAOYSA-N
InChI=1S/C15H13N3O2.C4H11NO3/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11;5-4(1-6,2-7)3-8/h2-9,12H,1H3,(H,17,20);6-8H,1-3,5H2
| Molecular Formula | C4H11NO3 |
| Molecular Weight | 121.135 |
| 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 15:28:55 UTC 2023
by
admin
on
Fri Dec 15 15:28:55 UTC 2023
|
| Record UNII |
33S1GFG04E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Code | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29710
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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| Code System | Code | Type | Description | ||
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Z-71
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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PRIMARY | |||
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3033812
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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33S1GFG04E
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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109636-76-2
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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DTXSID40911267
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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C73321
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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CHEMBL2111033
Created by
admin on Fri Dec 15 15:28:55 UTC 2023 , Edited by admin on Fri Dec 15 15:28:55 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |