Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H20FN5O4.C4H7NO4 |
Molecular Weight | 534.4943 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@H](CC(O)=O)C(O)=O.CO\N=C1/CN(CC12CNC2)C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=N3)C(O)=O
InChI
InChIKey=OBWXDHHUYKIHDV-USSIZITKSA-N
InChI=1S/C19H20FN5O4.C4H7NO4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17;5-2(4(8)9)1-3(6)7/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28);2H,1,5H2,(H,6,7)(H,8,9)/b23-14+;/t;2-/m.1/s1
Molecular Formula | C4H7NO4 |
Molecular Weight | 133.1027 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C19H20FN5O4 |
Molecular Weight | 401.3916 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:48:47 UTC 2023
by
admin
on
Sat Dec 16 13:48:47 UTC 2023
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Record UNII |
A0QFV40KA8
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Record Status |
Validated (UNII)
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Record Version |
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-
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A0QFV40KA8
Created by
admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
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1808295-63-7
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admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
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SUB196885
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admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
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100000182637
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admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
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25052203
Created by
admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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