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Cinnabarinic acid

CAT: 0607-B7592-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7592-50Size:50 mg
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Description
mGlu4 receptor agonist
CAS Number
606-59-7
Product Name Alternative
2-amino-3-oxo-3H-phenoxazine-1,9-dicarboxylic acid
Field of Research
Neuroscience GluR
Purity
0.98
Form
A red solid
Solubility
Soluble in DMSO
Smiles
O=C1C(N)=C(C(O)=O)C2=NC3=C(C(O)=O)C=CC=C3OC2=C1
Molecular Formula
C14H8N2O6
Molecular Weight
300.22
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cinnabarinic Acid

Cinnavalininic acid is a phenoxazine and a dicarboxylic acid. It is a conjugate acid of a Cinnavalininate(2-).

CAS Number606-59-7
PubChem CID114918
IUPAC Name2-amino-3-oxophenoxazine-1,9-dicarboxylic acid
Molecular FormulaC14H8N2O6
Molecular Weight300.22
XLogP0.8
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity675
SMILES
C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)C(=O)O
InChI
InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)
InChIKey
FSBKJYLVDRVPTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cinnabarinic Acid
CAS: 606-59-7
CID: 114918
Formula: C14H8N2O6
MW: 300.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.22
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass300.03823598
Monoisotopic Mass300.03823598
Topological Polar Surface Area139 Ų
Heavy Atom Count22
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6096410-01Cinnabarinic Acid
TRC-C442002-10MGCinnabarinic Acid-d4
HY-W011417R-01Cinnabarinic acid (Standard)
IS005Cinnabarinic acid antibody - mouse mAb
TBI2883-25MGCinnabarinic acid, AhR ligand, endogenous
217275Cinnabarinic Acid (2-Amino-3-oxo-3H-phenoxazine-1,9-di­carboxylic acid)
OR1071368-01Acid-apeg6-acid
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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