Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18BrF4N3O2.ClH |
| Molecular Weight | 536.745 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1=C(Br)C(=O)N(C[C@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(F)C=CC=C3C(F)(F)F
InChI
InChIKey=ZZTQGQNSOWFDOE-LMOVPXPDSA-N
InChI=1S/C21H18BrF4N3O2.ClH/c1-12-18(22)19(30)29(11-17(27)13-6-3-2-4-7-13)20(31)28(12)10-14-15(21(24,25)26)8-5-9-16(14)23;/h2-9,17H,10-11,27H2,1H3;1H/t17-;/m0./s1
| Molecular Formula | C21H18BrF4N3O2 |
| Molecular Weight | 500.284 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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
Wed Apr 02 14:30:56 GMT 2025
by
admin
on
Wed Apr 02 14:30:56 GMT 2025
|
| Record UNII |
96ZVE4NR27
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
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96ZVE4NR27
Created by
admin on Wed Apr 02 14:30:56 GMT 2025 , Edited by admin on Wed Apr 02 14:30:56 GMT 2025
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2617827-22-0
Created by
admin on Wed Apr 02 14:30:56 GMT 2025 , Edited by admin on Wed Apr 02 14:30:56 GMT 2025
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164522781
Created by
admin on Wed Apr 02 14:30:56 GMT 2025 , Edited by admin on Wed Apr 02 14:30:56 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 3-[(2R)-2-Amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione](/img/1d4c385d-5586-44c1-8584-b3314cc15694.svg "Structure of 3-[(2R)-2-Amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione")