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CGP 55845 hydrochloride

CAT: 0931-T21759-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T21759-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149184-22-5
Target
Others, GABA Receptor
Related Pathways
Others, Membrane transporter/Ion channel, Neuroscience
Bioactivity
CGP55845 hydrochloride is a potent and selective GABAB receptor antagonist with an IC50 of 6 nM, suitable for use in neurological research [1] [2].
Smiles
Cl.C[C@H](NC[C@H](O)CP(O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1
Molecular Formula
C18H23Cl3NO3P
Molecular Weight
438.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cgp 55845A

GABA-B receptor antagonist; RN refers to cpd with no isomeric designation; CGP 55845 is the (1S,2S)-isomer

CAS Number149184-22-5
PubChem CID9954841
IUPAC Namebenzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride
Molecular FormulaC18H23Cl3NO3P
Molecular Weight438.7
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity448
SMILES
C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC[C@@H](CP(=O)(CC2=CC=CC=C2)O)O.Cl
InChI
InChI=1S/C18H22Cl2NO3P.ClH/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14;/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24);1H/t13-,16-;/m0./s1
InChIKey
PXQAIXBYWZBYKJ-LINSIKMZSA-N
Chemical Structure
2D Structure
2D structure of Cgp 55845A
CAS: 149184-22-5
CID: 9954841
Formula: C18H23Cl3NO3P
MW: 438.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass437.048114
Monoisotopic Mass437.048114
Topological Polar Surface Area69.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity448
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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