Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H11F3N2O2.C7H17NO5 |
| Molecular Weight | 491.4581 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1C(F)(F)F
InChI
InChIKey=MGCCHNLNRBULBU-WZTVWXICSA-N
InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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| Code System | Code | Type | Description | ||
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C76804
Created by
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255-836-0
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1274607
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CHEMBL1617398
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759583
Created by
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PRIMARY | |||
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m5448
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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PRIMARY | Merck Index | ||
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DBSALT001682
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8Y3JK0JW3U
Created by
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76144
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42461-84-7
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DTXSID1045584
Created by
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8Y3JK0JW3U
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admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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300000023744
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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C014558
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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25122
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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PRIMARY | RxNorm | ||
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39212
Created by
admin on Fri Dec 15 15:14:27 UTC 2023 , Edited by admin on Fri Dec 15 15:14:27 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD