Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H17FN6O.2ClH.H2O |
Molecular Weight | 503.356 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.CNC(=O)C1=C(F)C=C(C=C1)C2=NN3C(CC4=CC5=C(C=C4)N=CC=C5)=CN=C3N=C2
InChI
InChIKey=COWBUPJEEDYWKD-UHFFFAOYSA-N
InChI=1S/C23H17FN6O.2ClH.H2O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;;;/h2-9,11-13H,10H2,1H3,(H,25,31);2*1H;1H2
Molecular Formula | C23H17FN6O |
Molecular Weight | 412.4191 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Sat Dec 16 11:32:46 UTC 2023
by
admin
on
Sat Dec 16 11:32:46 UTC 2023
|
Record UNII |
C2A374O70X
|
Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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NCI_THESAURUS |
C1742
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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Code System | Code | Type | Description | ||
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C2A374O70X
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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DTXSID401027869
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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122201352
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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1865733-40-9
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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DBSALT002950
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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C138995
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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C2A374O70X
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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2362259
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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300000012022
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY | |||
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EF-11
Created by
admin on Sat Dec 16 11:32:46 UTC 2023 , Edited by admin on Sat Dec 16 11:32:46 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |