Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C11H12ClFN2.C4H4O4 |
Molecular Weight | 342.75 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.C[C@H](N)CN1C=CC2=C1C=C(Cl)C(F)=C2
InChI
InChIKey=CEPHEXXZGQBXGT-XZTIXWOLSA-N
InChI=1S/C11H12ClFN2.C4H4O4/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-;/m0./s1
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C11H12ClFN2 |
Molecular Weight | 226.678 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:31:15 GMT 2023
by
admin
on
Sat Dec 16 17:31:15 GMT 2023
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Record UNII |
YQP8J4N96A
|
Record Status |
Validated (UNII)
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Record Version |
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-
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142183
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169675-09-6
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Ro60-0175
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DTXSID801028190
Created by
admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
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YQP8J4N96A
Created by
admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
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6446435
Created by
admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
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Related Record | Type | Details | ||
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TARGET -> AGONIST |
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