4-Dechloro-4-(3-chlorophenyl) Haloperidol - CAS 1391052-67-7
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Catalog Number: R058403
CAS Number: 1391052-67-7
PubChem Substance ID:355122569
Molecular Formula: C27H27ClFNO2
Molecular Weight:451.966
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | 4-[4-(3’-Chlorobiphenyl-4-yl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one; Haloperidol Impurity E |
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Property
Molecular Formula: | C27H27ClFNO2 |
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Molecular Weight | 451.966 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | 4-[4-[4-(3-chlorophenyl)phenyl]-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
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InChI | InChI=1S/C27H27ClFNO2/c28-24-4-1-3-22(19-24)20-6-10-23(11-7-20)27(32)14-17-30(18-15-27)16-2-5-26(31)21-8-12-25(29)13-9-21/h1,3-4,6-13,19,32H,2,5,14-18H2 |
InChIKey | SXXQWGYBKBKWFV-UHFFFAOYSA-N |
SMILES | C1CN(CCC1(C2=CC=C(C=C2)C3=CC(=CC=C3)Cl)O)CCCC(=O)C4=CC=C(C=C4)F |