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Bicalutamide-d4

CAT: 1596-AR-B01577-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01577-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185035-71-5
Synonyms
N-[4-cyano-3- (trifluoromethyl) phenyl]-2-hydroxy-2-methyl-3- (2,3,5,6-tetradeuterio-4-fluorophenyl) sulfonylpropanamide; N-[4-Cyano-3-trifluoromethyl) phenyl]- 3-[ (4-fluorophenyl) sulfonyl]-2-hydroxy-2-methylpropanamide-d4; ICI-176334-d4; Casodex-d4; Bicalutamide-d4
Molecular Formula
C18H10D4F4N2O4S
Molecular Weight
434.4
API Name
Bicalutamide

Chemical Information

Bicalutamide-d4
CAS Number1185035-71-5
PubChem CID49849567
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropanamide
Molecular FormulaC18H14F4N2O4S
Molecular Weight434.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
[2H]C1=C(C(=C(C(=C1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O)[2H]
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)/i3D,4D,6D,7D
InChIKey
LKJPYSCBVHEWIU-ZDPIWEEJSA-N
Chemical Structure
2D Structure
2D structure of Bicalutamide-d4
CAS: 1185035-71-5
CID: 49849567
Formula: C18H14F4N2O4S
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass434.08614774
Monoisotopic Mass434.08614774
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-B382007-2.5MG(R)-Bicalutamide-D4
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sc-219748(R) -Bicalutamide-d4
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