Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21FN2O.C2H2O4 |
| Molecular Weight | 414.4268 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3
InChI
InChIKey=KTGRHKOEFSJQNS-BDQAORGHSA-N
InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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NCI_THESAURUS |
C94725
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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DBSALT002455
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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5U85DBW7LO
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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353108
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | RxNorm | ||
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758934
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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MM-73
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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5U85DBW7LO
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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219861-08-2
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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CHEMBL1508
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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100000090506
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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C47518
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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SUB16426MIG
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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DTXSID1046003
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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146571
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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1249406
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | |||
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m3587
Created by
admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD