Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H28N6O3.H2O |
| Molecular Weight | 478.5435 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC(C)(O)C1=CN=C(C=N1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O
InChI
InChIKey=OQQMLUFQKLWXNB-DKIIUIKKSA-N
InChI=1S/C25H28N6O3.H2O/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30;/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3;1H2/t24-,25-;/m0./s1
| Molecular Formula | C25H28N6O3 |
| Molecular Weight | 460.5282 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:03:39 GMT 2025
by
admin
on
Wed Apr 02 12:03:39 GMT 2025
|
| Record UNII |
JA6HK3XJM5
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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142449207
Created by
admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
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PRIMARY | |||
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300000018858
Created by
admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
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PRIMARY | |||
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JA6HK3XJM5
Created by
admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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