Boronophenylalanine B-10 HCl

CAT: 0931-T202294-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202294-01Size:10 mg

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CAS Number

74611-70-4

Bioactivity

Boronophenylalanine B-10 (BPA) is a boron delivery agent used in boron neutron capture therapy (BNCT) for the treatment of metastatic melanoma and other tumors.

Smiles

C([C@@H](C(O)=O)N)C1=CC=C([10B](O)O)C=C1.Cl

Molecular Formula

C9H13BClNO4

Molecular Weight

244.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Boronophenylalanine B-10 hydrochloride

CAS Number	74611-70-4
PubChem CID	71587272
IUPAC Name	(2S)-2-amino-3-(4-(10B)boronophenyl)propanoic acid;hydrochloride
Molecular Formula	C9H13BClNO4
Molecular Weight	244.67
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	216

SMILES

[10B](C1=CC=C(C=C1)C[C@@H](C(=O)O)N)(O)O.Cl

InChI

InChI=1S/C9H12BNO4.ClH/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);1H/t8-;/m0./s1/i10-1;

InChIKey

ITAYDCRFNXQNBL-VBXWDGFZSA-N

Chemical Structure

2D Structure

CAS: 74611-70-4

CID: 71587272

Formula: C9H13BClNO4

MW: 244.67

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	244.67
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	244.0662475
Monoisotopic Mass	244.0662475
Topological Polar Surface Area	104 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
Isotope Atom Count	1
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19242255-01	Boronophenylalanine B-10 HCl
GTR19242368-01	Boronophenylalanine HCl
HY-W087830-01	L-p-Boronophenylalanine
sc-514516	MZT2A/B (B-10)
sc-390035	Fos B (B-10)
sc-398625	SUGT1 (B-10)
sc-6282	PKR (B-10)
sc-376304	TRIP6 (B-10)
sc-376701	ARA54 (B-10)
MBS5791471	10-Hydroxyaloin B

Boronophenylalanine B-10 HCl

Chemical Information

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