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CGP 36742 , GABA-B receptor antagonist, CAS No.C608500, GABA-B receptor antagonist
Basic Description
Synonyms
AKOS040741539 | SGS-742 | SGS 742 | 3-aminopropyl(butyl)phosphinic acid | 3-aminopropyl(butyl)-phosphinic acid | Lopac-H-0879 | DVD-742 | (3-Aminopropyl)(n-butyl)phosphinic acid | 3-AMINOPROPYL-BUTYL PHOSPHINIC ACID | UNII-GBZ5UC0RME | (3-Aminopropyl)buty
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
GABA-B receptor antagonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organophosphorus compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organophosphorus compounds
Alternative Parents
Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus 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
3-aminopropyl-butylphosphinic acid
INCHI
InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
InChIKey
ONNMDRQRSGKZCN-UHFFFAOYSA-N
Smiles
CCCCP(=O)(CCCN)O
Isomeric SMILES
CCCCP(=O)(CCCN)O
PubChem CID
130021
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.200 g/mol
XLogP3
-2.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
179.108 Da
Monoisotopic Mass
179.108 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
138.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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