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3-Hydroxy-DL-kynurenine

CAT: 0572-TRC-H950758-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950758-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
484-78-6
Synonyms
α,2-Diamino-3-hydroxy-γ-oxo-benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-alanine; 3-Hydroxykynurenine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
NC(CC(=O)c1cccc(O)c1N)C(=O)O
Molecular Formula
C10 H12 N2 O4
Molecular Weight
224.21
InChI
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
Additionnal Information
IUPAC name: 2-amino-4-(2-amino-3-hydroxy-phenyl)-4-oxo-butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxykynurenine

3-hydroxykynurenine is a hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. It has a role as a human metabolite.

CAS Number484-78-6
PubChem CID89
IUPAC Name2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Molecular FormulaC10H12N2O4
Molecular Weight224.21
XLogP-2.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
InChI
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
InChIKey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxykynurenine
CAS: 484-78-6
CID: 89
Formula: C10H12N2O4
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP3-2.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass224.07970687
Monoisotopic Mass224.07970687
Topological Polar Surface Area127 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
Isotope Atom Count0
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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FH64905-013-Hydroxy-DL-kynurenine
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