Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H22N6.C4H6O6.2H2O |
| Molecular Weight | 448.4714 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN[C@@H]1CCN(C1)C2=NC(N)=NC(NCC3CC3)=C2
InChI
InChIKey=AZNYKQWIUUFUID-FXPVNMEJSA-N
InChI=1S/C13H22N6.C4H6O6.2H2O/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;5-1(3(7)8)2(6)4(9)10;;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;1-,2-;;/m11../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 | C13H22N6 |
| Molecular Weight | 262.354 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:22:18 UTC 2023
by
admin
on
Sat Dec 16 10:22:18 UTC 2023
|
| Record UNII |
D0DVK27O02
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English |
| Code System | Code | Type | Description | ||
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2096455-87-5
Created by
admin on Sat Dec 16 10:22:18 UTC 2023 , Edited by admin on Sat Dec 16 10:22:18 UTC 2023
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PRIMARY | |||
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D0DVK27O02
Created by
admin on Sat Dec 16 10:22:18 UTC 2023 , Edited by admin on Sat Dec 16 10:22:18 UTC 2023
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PRIMARY | |||
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131634758
Created by
admin on Sat Dec 16 10:22:18 UTC 2023 , Edited by admin on Sat Dec 16 10:22:18 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |