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VU 0155041 sodium salt

CAT: 0607-B7357-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7357-10Size:10 mg
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Description
positive allosteric modulator/allosteric agonist of mGlu4 receptor
CAS Number
1259372-69-4
Product Name Alternative
sodium (1R,2S)-2-((3,5-dichlorophenyl)carbamoyl)cyclohexanecarboxylate
Field of Research
Neuroscience GluR
Purity
0.98
Form
White solid
Solubility
Soluble in H2O
Smiles
ClC1=CC(Cl)=CC(NC([C@@H]2[C@H](C([O-])=O)CCCC2)=O)=C1.[Na+]
Molecular Formula
C14H14Cl2NNaO3
Molecular Weight
338.16
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

VU 0155041 Sodium salt
CAS Number1259372-69-4
PubChem CID56972207
IUPAC Namesodium cis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
Molecular FormulaC14H14Cl2NNaO3
Molecular Weight338.2
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity373
SMILES
C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)[O-].[Na+]
InChI
InChI=1S/C14H15Cl2NO3.Na/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20;/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+;/m0./s1
InChIKey
ZFDOLOCYGVTGDQ-ZVWHLABXSA-M
Chemical Structure
2D Structure
2D structure of VU 0155041 Sodium salt
CAS: 1259372-69-4
CID: 56972207
Formula: C14H14Cl2NNaO3
MW: 338.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass337.0248430
Monoisotopic Mass337.0248430
Topological Polar Surface Area69.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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