Products for Research Use Only

CGP 54626 hydrochloride

CAT: 0931-T22651-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T22651-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
149184-21-4
Target
Others, GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
CGP 54626 hydrochloride is a GABAB receptor antagonist.
Smiles
[C@H](NC[C@@H](CP(CC1CCCCC1)(=O)O)O)(C)C2=CC(Cl)=C(Cl)C=C2.Cl
Molecular Formula
C18H29Cl3NO3P
Molecular Weight
444.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phosphinic acid, P-(cyclohexylmethyl)-P-((2S)-3-(((1S)-1-(3,4-dichlorophenyl)ethyl)amino)-2-hydroxypropyl)-, hydrochloride (1:1)

CGP 54626 hydrochloride is an organic molecular entity. It has a role as a GABA antagonist.

CAS Number149184-21-4
PubChem CID197583
IUPAC Namecyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride
Molecular FormulaC18H29Cl3NO3P
Molecular Weight444.8
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)(CC2CCCCC2)O)O.Cl
InChI
InChI=1S/C18H28Cl2NO3P.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;/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24);1H/t13-,16-;/m0./s1
InChIKey
ZQCFHOVIXCJPLE-LINSIKMZSA-N
Chemical Structure
2D Structure
2D structure of Phosphinic acid, P-(cyclohexylmethyl)-P-((2S)-3-(((1S)-1-(3,4-dichlorophenyl)ethyl)amino)-2-hydroxypropyl)-, hydrochloride (1:1)
CAS: 149184-21-4
CID: 197583
Formula: C18H29Cl3NO3P
MW: 444.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight444.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass443.095064
Monoisotopic Mass443.095064
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