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CGP 44532 , CAS No.133345-68-3, Agonist of GABA B receptor
Basic Description
Synonyms
Q27075905 | CGP44533 | CGP-44533 | (3-Amino-2(R)-hydroxypropyl)methylphosphinic acid | Phosphinic acid, P-((2R)-3-amino-2-hydroxypropyl)-P-methyl- | GTPL1082 | 7XK6LCG3JT | DTXSID701234144 | P-[3-amino-2(R)-hydroxy-propyl]-P-methyl-phosphinic acid | ((2R)
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of GABA B receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Alkanolamines
Direct Parent
1,2-aminoalcohols
Alternative Parents
Secondary alcohols Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid
INCHI
InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey
FUUPFUIGNBPCAY-SCSAIBSYSA-N
Smiles
CP(=O)(C[C@@H](CN)O)O
Isomeric SMILES
CP(=O)(C[C@@H](CN)O)O
PubChem CID
5310934
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.120 g/mol
XLogP3
-4.900
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
153.055 Da
Monoisotopic Mass
153.055 Da
Topological Polar Surface Area
83.600 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
127.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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