Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H13F3N3O2S.Na |
Molecular Weight | 391.343 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=C(C[S+]([O-])C2=NC3=C([N-]2)C=CC=C3)N=CC=C1OCC(F)(F)F
InChI
InChIKey=OTGPYEHFRKGRIZ-UHFFFAOYSA-N
InChI=1S/C16H13F3N3O2S.Na/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;/h2-7H,8-9H2,1H3;/q-1;+1
Molecular Formula | C16H14F3N3O2S |
Molecular Weight | 369.361 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:38:51 UTC 2023
by
admin
on
Fri Dec 15 16:38:51 UTC 2023
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Record UNII |
GV9NY1U369
|
Record Status |
Validated (UNII)
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Record Version |
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-
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226904-00-3
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100000165911
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GV9NY1U369
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SUB179772
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12044540
Created by
admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |