Details
Stereochemistry | RACEMIC |
Molecular Formula | C17H18F3NO.C2H2O4 |
Molecular Weight | 399.361 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2
InChI
InChIKey=CKOSCBUBUNGPOY-UHFFFAOYSA-N
InChI=1S/C17H18F3NO.C2H2O4/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;3-1(4)2(5)6/h2-10,16,21H,11-12H2,1H3;(H,3,4)(H,5,6)
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 | ( + / - ) |
Molecular Formula | C2H2O4 |
Molecular Weight | 90.0349 |
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 01:20:14 UTC 2023
by
admin
on
Sat Dec 16 01:20:14 UTC 2023
|
Record UNII |
640AZ74IZB
|
Record Status |
Validated (UNII)
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Record Version |
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-
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m5487
Created by
admin on Sat Dec 16 01:20:14 UTC 2023 , Edited by admin on Sat Dec 16 01:20:14 UTC 2023
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PRIMARY | Merck Index | ||
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13013909
Created by
admin on Sat Dec 16 01:20:14 UTC 2023 , Edited by admin on Sat Dec 16 01:20:14 UTC 2023
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114414-02-7
Created by
admin on Sat Dec 16 01:20:14 UTC 2023 , Edited by admin on Sat Dec 16 01:20:14 UTC 2023
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PRIMARY | |||
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640AZ74IZB
Created by
admin on Sat Dec 16 01:20:14 UTC 2023 , Edited by admin on Sat Dec 16 01:20:14 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |