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PHCCC (4Me)

CAT: 0013-GTR19198735-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198735-03Size:100 mg
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Description
THCCC is a structural analog of PHCCC functioning as a dual allosteric modulator, negatively modulating mGluR2 while positively modulating mGluR3. This compound is a valuable research tool for investigating the distinct roles of these receptors in neurological disorders, supporting both in vitro and in vivo experimental studies.
CAS Number
1259532-01-8
Field of Research
Neuroscience
Smiles
C (NC1=CC=C (C) C=C1) (=O) C23C (C2) C (=NO) C=4C (O3) =CC=CC4
Molecular Formula
C18H16N2O3
Molecular Weight
308.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PHCCC(4Me)
CAS Number1259532-01-8
PubChem CID49858117
IUPAC Name(7E)-7-hydroxyimino-N-(4-methylphenyl)-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
Molecular FormulaC18H16N2O3
Molecular Weight308.3
XLogP2.9
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity512
SMILES
CC1=CC=C(C=C1)NC(=O)C23CC2/C(=N\O)/C4=CC=CC=C4O3
InChI
InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-
InChIKey
VKCTUZKPBYSTDW-SILNSSARSA-N
Chemical Structure
2D Structure
2D structure of PHCCC(4Me)
CAS: 1259532-01-8
CID: 49858117
Formula: C18H16N2O3
MW: 308.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass308.11609238
Monoisotopic Mass308.11609238
Topological Polar Surface Area70.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-114863-01PHCCC (4Me)
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