Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H20FN5O4.CH4O3S |
| Molecular Weight | 485.487 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CO\N=C1/CN(CC1CN)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=N2)C(O)=O
InChI
InChIKey=JIYMVSQRGZEYAX-CWUUNJJBSA-N
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C795
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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| Code System | Code | Type | Description | ||
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X4S9F8RL01
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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PRIMARY | |||
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m5693
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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PRIMARY | Merck Index | ||
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SUB21851
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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9588170
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DBSALT002832
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admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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1288667
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admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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402429
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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PRIMARY | RxNorm | ||
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KK-82
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admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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100000090463
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admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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X4S9F8RL01
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admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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CHEMBL430
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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DTXSID7045948
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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210353-53-0
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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C47548
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD