Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H15N5O3.C4H4O4 |
| Molecular Weight | 393.3514 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.NC1=NC2=C(N=CN2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1
InChI
InChIKey=UEXBBJAYBDAHLG-FJESMAGSSA-N
InChI=1S/C12H15N5O3.C4H4O4/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;5-3(6)1-2-4(7)8/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1-2H,(H,5,6)(H,7,8)/b;2-1-/t6-,7-,8-;/m0./s1
| Molecular Formula | C12H15N5O3 |
| Molecular Weight | 277.2792 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:37:01 UTC 2023
by
admin
on
Sat Dec 16 09:37:01 UTC 2023
|
| Record UNII |
92A92XBK4S
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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92A92XBK4S
Created by
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100000184242
Created by
admin on Sat Dec 16 09:37:01 UTC 2023 , Edited by admin on Sat Dec 16 09:37:01 UTC 2023
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911138-73-3
Created by
admin on Sat Dec 16 09:37:01 UTC 2023 , Edited by admin on Sat Dec 16 09:37:01 UTC 2023
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135449303
Created by
admin on Sat Dec 16 09:37:01 UTC 2023 , Edited by admin on Sat Dec 16 09:37:01 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |