Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H22N6O4.C4H6O6.H2O |
| Molecular Weight | 530.4858 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3
InChI
InChIKey=IMEQDWQCFHIYJB-LOMBACLASA-N
InChI=1S/C16H22N6O4.C4H6O6.H2O/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10;5-1(3(7)8)2(6)4(9)10;/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25);1-2,5-6H,(H,7,8)(H,9,10);1H2/t10-,11-,12-;1-,2-;/m01./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 | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C16H22N6O4 |
| Molecular Weight | 362.3837 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:55:18 UTC 2023
by
admin
on
Sat Dec 16 05:55:18 UTC 2023
|
| Record UNII |
1N3H4TJE79
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DTXSID20204821
Created by
admin on Sat Dec 16 05:55:18 UTC 2023 , Edited by admin on Sat Dec 16 05:55:18 UTC 2023
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PRIMARY | |||
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1N3H4TJE79
Created by
admin on Sat Dec 16 05:55:18 UTC 2023 , Edited by admin on Sat Dec 16 05:55:18 UTC 2023
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56267-12-0
Created by
admin on Sat Dec 16 05:55:18 UTC 2023 , Edited by admin on Sat Dec 16 05:55:18 UTC 2023
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5282469
Created by
admin on Sat Dec 16 05:55:18 UTC 2023 , Edited by admin on Sat Dec 16 05:55:18 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |