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Sarizotan hydrochloride , Dopamine D4 receptor agonist, CAS No.195068-07-6, Dopamine D4 receptor agonist
Basic Description
Synonyms
Sarizotan hydrochloride | (R)-(-)-2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chroman hydrochloride | UNII-5P71E6YO9H | EMD-128130 | (R)-(-)-2-(5-(4-fluorophenyl)-3-pyridylmethylaminomethyl)chromane hydrochloride | EMD 128130 | [(2R)-3,4-dihydro-2H-c
Action Type
AGONIST
Mechanism of action
Dopamine D4 receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
1-benzopyrans Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyridine - Benzopyran - Chromane - 1-benzopyran - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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.
Names and Identifiers
IUPAC Name
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine;hydrochloride
INCHI
InChI=1S/C22H21FN2O.ClH/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21;/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2;1H/t21-;/m1./s1
InChIKey
QDLVYMYXOLGZOD-ZMBIFBSDSA-N
Smiles
C1CC2=CC=CC=C2OC1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F.Cl
Isomeric SMILES
C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F.Cl
PubChem CID
6918387
Molecular Weight
384.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
384.900 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
384.14 Da
Monoisotopic Mass
384.14 Da
Topological Polar Surface Area
34.200 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
426.000
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
2
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