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(R) -Bicalutamide 200mg

CAT: 0628-A10008-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A10008-200Size:200 mg
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CAS Number
113299-40-4

Chemical Information

(R)-Bicalutamide

(R)-bicalutamide is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide. It has a role as an androgen antagonist and an antineoplastic agent. It is an enantiomer of a (S)-bicalutamide.

CAS Number113299-40-4
PubChem CID56069
IUPAC Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
Molecular FormulaC18H14F4N2O4S
Molecular Weight430.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
C[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
InChIKey
LKJPYSCBVHEWIU-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (R)-Bicalutamide
CAS: 113299-40-4
CID: 56069
Formula: C18H14F4N2O4S
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass430.06104075
Monoisotopic Mass430.06104075
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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