Details
Stereochemistry | RACEMIC |
Molecular Formula | C17H18F3NO.ClH |
Molecular Weight | 345.787 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2
InChI
InChIKey=GIYXAJPCNFJEHY-UHFFFAOYSA-N
InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
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 | C17H18F3NO |
Molecular Weight | 309.3261 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:24:21 UTC 2023
by
admin
on
Fri Dec 15 15:24:21 UTC 2023
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Record UNII |
I9W7N6B1KJ
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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 |
C94725
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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Code System | Code | Type | Description | ||
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I9W7N6B1KJ
Created by
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PRIMARY | |||
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260-101-2
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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5118
Created by
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227224
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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62857
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DTXSID7020635
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6633
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1279804
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5119
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SUB02226MIG
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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AA-47
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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C2829
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admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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100000091555
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admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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DBSALT000087
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I9W7N6B1KJ
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admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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CHEMBL41
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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m5487
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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PRIMARY | Merck Index | ||
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56296-78-7
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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59333-67-4
Created by
admin on Fri Dec 15 15:24:21 UTC 2023 , Edited by admin on Fri Dec 15 15:24:21 UTC 2023
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SUPERSEDED |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
This impurity may not be present.
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |