ChemicalBook--->CAS DataBase List--->1166228-30-3

1166228-30-3

1166228-30-3 Structure

1166228-30-3 Structure
IdentificationBack Directory
[Name]

3-Fluoro-4-desfluoro BicalutaMide
[CAS]

1166228-30-3
[Synonyms]

Bicalutamide USP RC B
Bicalutamide impurity E
Bicalutamide Impurity 9
3-Fluorophenyl Bicalutamide
3-Fluoro-4-desfluoro BicalutaMide
3-Fluoro-4-desfluoro Bicalutamide(related compound B)
Bicalutamide Related Compound B (Bicalutamide 3-Fluoro Isomer)
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(3-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-
BICALUTAMIDE IMPURITY:(RS)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-(3-FLUOROPHENYLSULFONYL)-2-HYDROX
Bicalutamide Impurity:(RS)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide
[Molecular Formula]

C18H14F4N2O4S
[MDL Number]

MFCD28977563
[MOL File]

1166228-30-3.mol
[Molecular Weight]

430.37
Chemical PropertiesBack Directory
[Melting point ]

154-157℃ (ethyl acetate hexane )
[Boiling point ]

658.6±55.0 °C(Predicted)
[density ]

1.52±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

11.45±0.29(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-4-2-3-12(19)7-14)16(25)24-13-6-5-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
[InChIKey]

JNUHKUUHIXCACT-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)C(O)(C)CS(C1=CC=CC(F)=C1)(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H351-H410-H360
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

(3-Fluoro-4-desfluoro Bicalutamide) Bicalutamide (B382000) impurity. Bicalutamide is a non-steroidal peripherally active antiandrogen. Used as an antiandrogen, antineoplastic (hormonal).
[Uses]

3-Fluorophenyl Bicalutamide (Bicalutamide USP Related Compound B) is a steroisomer of Bicalutamide (B382000), non-steroidal peripherally active anti-androgen. Used as an antiandrogen, antineoplastic (hormonal).
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