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4-Borono-L-phenylalanine

CAT: 1410-M37069-01Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Borono-L-phenylalanine has antitumor activity and may be used in clinical trials of boron neutron capture therapy for the treatment of melanoma and glioblastoma multiforme.
CAS Number
76410-58-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
209.01
Molecular Formula
C9H12BNO4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

L-p-Boronophenylalanine

P-Borono-L-phenylalanine is an organic molecular entity.

CAS Number76410-58-7
PubChem CID150315
IUPAC Name(2S)-2-amino-3-(4-boronophenyl)propanoic acid
Molecular FormulaC9H12BNO4
Molecular Weight209.01
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity216
SMILES
B(C1=CC=C(C=C1)C[C@@H](C(=O)O)N)(O)O
InChI
InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey
NFIVJOSXJDORSP-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of L-p-Boronophenylalanine
CAS: 76410-58-7
CID: 150315
Formula: C9H12BNO4
MW: 209.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.01
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass209.0859380
Monoisotopic Mass209.0859380
Topological Polar Surface Area104 Ų
Heavy Atom Count15
Formal Charge0
Complexity216
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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