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PHP 501 trifluoroacetate

CAT: 0013-GTR19201004-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201004-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule is a selective GABAA receptor antagonist. It is widely used in neuroscience research to probe inhibitory neurotransmission, with applications in studies of anxiety, sedation, and seizure mechanisms in both cellular and animal models.
CAS Number
1236105-75-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
ON1C (=C (C=N1) C2CCNCC2) C3=CC (=CC=C3) C4=CC=CC=C4
Molecular Formula
C20H21N3O
Molecular Weight
319.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PHP 501 trifluoroacetate
CAS Number1236105-75-1
PubChem CID90488945
IUPAC Name4-[1-hydroxy-5-(3-phenylphenyl)pyrazol-4-yl]piperidine;2,2,2-trifluoroacetic acid
Molecular FormulaC22H22F3N3O3
Molecular Weight433.4
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity476
SMILES
C1CNCCC1C2=C(N(N=C2)O)C3=CC=CC(=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C20H21N3O.C2HF3O2/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15;3-2(4,5)1(6)7/h1-8,13-14,16,21,24H,9-12H2;(H,6,7)
InChIKey
SULXXKLCQRXMHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PHP 501 trifluoroacetate
CAS: 1236105-75-1
CID: 90488945
Formula: C22H22F3N3O3
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass433.16132606
Monoisotopic Mass433.16132606
Topological Polar Surface Area87.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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