Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H17F3N3O5.Na |
Molecular Weight | 471.3618 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4F)C(=O)C([O-])=C3C(=O)N1[C@H]5CC[C@H](C5)O2
InChI
InChIKey=WJNFBIVCQMPPJC-FQYDJHLKSA-M
InChI=1S/C21H18F3N3O5.Na/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28;/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30);/q;+1/p-1/t10-,11+,16+;/m0./s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C21H17F3N3O5 |
Molecular Weight | 448.372 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:41:33 UTC 2023
by
admin
on
Sat Dec 16 08:41:33 UTC 2023
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Record UNII |
4L5MP1Y7W7
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1660
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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Code System | Code | Type | Description | ||
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DE-63
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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1807988-02-8
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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C142955
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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4L5MP1Y7W7
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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DBSALT002077
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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m12125
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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102593990
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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CHEMBL3707292
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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4L5MP1Y7W7
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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1999661
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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100000174345
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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DTXSID401027938
Created by
admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |