Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H17FN4O3.C6H12O7 |
| Molecular Weight | 516.4742 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N3CCNCC3
InChI
InChIKey=UQCAODSJNCBXEG-IFWQJVLJSA-N
InChI=1S/C15H17FN4O3.C6H12O7/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;7-1-2(8)3(9)4(10)5(11)6(12)13/h7-8,17H,2-6H2,1H3,(H,22,23);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
| Molecular Formula | C6H12O7 |
| Molecular Weight | 196.1553 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C15H17FN4O3 |
| Molecular Weight | 320.3189 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:39:08 UTC 2023
by
admin
on
Sat Dec 16 13:39:08 UTC 2023
|
| Record UNII |
FK8O5WLR9H
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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FK8O5WLR9H
Created by
admin on Sat Dec 16 13:39:08 UTC 2023 , Edited by admin on Sat Dec 16 13:39:08 UTC 2023
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PRIMARY | |||
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70480544
Created by
admin on Sat Dec 16 13:39:08 UTC 2023 , Edited by admin on Sat Dec 16 13:39:08 UTC 2023
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PRIMARY | |||
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85200-30-2
Created by
admin on Sat Dec 16 13:39:08 UTC 2023 , Edited by admin on Sat Dec 16 13:39:08 UTC 2023
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PRIMARY | |||
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104142-71-4
Created by
admin on Sat Dec 16 13:39:08 UTC 2023 , Edited by admin on Sat Dec 16 13:39:08 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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100000176176
Created by
admin on Sat Dec 16 13:39:08 UTC 2023 , Edited by admin on Sat Dec 16 13:39:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |