Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H20N4O3.H2O |
Molecular Weight | 394.4238 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CC=CN=C3
InChI
InChIKey=ICYQAMNVLLHURR-UHFFFAOYSA-N
InChI=1S/C21H20N4O3.H2O/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16;/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27);1H2
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 | C21H20N4O3 |
Molecular Weight | 376.4085 |
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
Fri Dec 15 18:32:09 UTC 2023
by
admin
on
Fri Dec 15 18:32:09 UTC 2023
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Record UNII |
643HY5UHKS
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Record Status |
Validated (UNII)
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Record Version |
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-
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80530-63-8
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admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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100000079607
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admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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SUB12216MIG
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admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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DTXSID30230378
Created by
admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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6419975
Created by
admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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643HY5UHKS
Created by
admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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m8789
Created by
admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |