Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H19N7O2.C3H6O3.H2O |
| Molecular Weight | 473.4824 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@H](O)C(O)=O.COC1=CC=CC(OCCCN)=C1C2=CC(NC3=CN=C(C=N3)C#N)=NN2
InChI
InChIKey=SQQVRJAAUOKBIG-TYOUJGAFSA-N
InChI=1S/C18H19N7O2.C3H6O3.H2O/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;1-2(4)3(5)6;/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);2,4H,1H3,(H,5,6);1H2/t;2-;/m.0./s1
| Molecular Formula | C3H6O3 |
| Molecular Weight | 90.0779 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
| 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 | C18H19N7O2 |
| Molecular Weight | 365.3892 |
| 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 18:45:25 UTC 2023
by
admin
on
Sat Dec 16 18:45:25 UTC 2023
|
| Record UNII |
E4FZV27T6Z
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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157433374
Created by
admin on Sat Dec 16 18:45:25 UTC 2023 , Edited by admin on Sat Dec 16 18:45:25 UTC 2023
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PRIMARY | |||
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E4FZV27T6Z
Created by
admin on Sat Dec 16 18:45:25 UTC 2023 , Edited by admin on Sat Dec 16 18:45:25 UTC 2023
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PRIMARY | |||
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2100300-72-7
Created by
admin on Sat Dec 16 18:45:25 UTC 2023 , Edited by admin on Sat Dec 16 18:45:25 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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