Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H17N3O.C4H6O4 |
| Molecular Weight | 361.3923 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(N)=O
InChI
InChIKey=WHTHWNUUXINXHN-SBSPUUFOSA-N
InChI=1S/C14H17N3O.C4H6O4/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8)/t9-;/m1./s1
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.3043 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:59:32 UTC 2023
by
admin
on
Sat Dec 16 05:59:32 UTC 2023
|
| Record UNII |
36K05YF32G
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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100000088414
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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158930-09-7
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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DBSALT001957
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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152944
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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m5571
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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DTXSID90166543
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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36K05YF32G
Created by
admin on Sat Dec 16 05:59:32 UTC 2023 , Edited by admin on Sat Dec 16 05:59:32 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS |
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