Details
Stereochemistry | RACEMIC |
Molecular Formula | C21H18F3N3O3.ClH |
Molecular Weight | 453.842 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1CN(CCN1)C2=CC3=C(C=C2F)C(=O)C(=CN3C4=C(F)C=C(F)C=C4)C(O)=O
InChI
InChIKey=DDVJEYDLTXRYAJ-UHFFFAOYSA-N
InChI=1S/C21H18F3N3O3.ClH/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23;/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30);1H
Molecular Formula | C21H18F3N3O3 |
Molecular Weight | 417.3811 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:34:12 UTC 2023
by
admin
on
Fri Dec 15 15:34:12 UTC 2023
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Record UNII |
OC5IGJ7J6I
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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 |
C795
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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Code System | Code | Type | Description | ||
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Z-28
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DTXSID70909733
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admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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295217
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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PRIMARY | RxNorm | ||
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C72858
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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DBSALT000794
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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CHEMBL277100
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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OC5IGJ7J6I
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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C054745
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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100000084772
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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SUB04715MIG
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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m10544
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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PRIMARY | Merck Index | ||
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60020
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 UTC 2023
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105784-61-0
Created by
admin on Fri Dec 15 15:34:12 UTC 2023 , Edited by admin on Fri Dec 15 15:34:12 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 |