Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18F3N3O3.ClH |
| Molecular Weight | 453.842 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.C[C@H]1C[C@H](N)CN1C2=CC3=C(C=C2F)C(=O)C(=CN3C4=CC=C(F)C=C4F)C(O)=O
InChI
InChIKey=CDDGYQYMKFYFSM-JGAZGGJJSA-N
InChI=1S/C21H18F3N3O3.ClH/c1-10-4-12(25)8-26(10)19-7-18-13(6-16(19)24)20(28)14(21(29)30)9-27(18)17-3-2-11(22)5-15(17)23;/h2-3,5-7,9-10,12H,4,8,25H2,1H3,(H,29,30);1H/t10-,12-;/m0./s1
| Molecular Formula | C21H18F3N3O3 |
| Molecular Weight | 417.3811 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:19:22 GMT 2025
by
admin
on
Mon Mar 31 22:19:22 GMT 2025
|
| Record UNII |
TY8E82X3L8
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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TY8E82X3L8
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3081065
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DTXSID90875300
Created by
admin on Mon Mar 31 22:19:22 GMT 2025 , Edited by admin on Mon Mar 31 22:19:22 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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![Structure of 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid](/img/fe4dcef0-5659-4c16-a8c8-b30b5e45cbac.svg "Structure of 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid")