Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H26FN3O4.ClH.H2O |
| Molecular Weight | 457.923 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N3CC[C@H](N)C(C)(C)C3)C4CC4
InChI
InChIKey=YAXKMYHCQDJBDI-CKUXDGONSA-N
InChI=1S/C21H26FN3O4.ClH.H2O/c1-21(2)10-24(7-6-15(21)23)17-14(22)8-12-16(19(17)29-3)25(11-4-5-11)9-13(18(12)26)20(27)28;;/h8-9,11,15H,4-7,10,23H2,1-3H3,(H,27,28);1H;1H2/t15-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H26FN3O4 |
| Molecular Weight | 403.4472 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:39:44 GMT 2025
by
admin
on
Tue Apr 01 16:39:44 GMT 2025
|
| Record UNII |
PHF9QM764N
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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| Code System | Code | Type | Description | ||
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24764411
Created by
admin on Tue Apr 01 16:39:44 GMT 2025 , Edited by admin on Tue Apr 01 16:39:44 GMT 2025
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PRIMARY | |||
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PHF9QM764N
Created by
admin on Tue Apr 01 16:39:44 GMT 2025 , Edited by admin on Tue Apr 01 16:39:44 GMT 2025
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PRIMARY | |||
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1332393-03-9
Created by
admin on Tue Apr 01 16:39:44 GMT 2025 , Edited by admin on Tue Apr 01 16:39:44 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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