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8-Azabicyclo(3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)- , Monoamine transporter inhibitor, CAS No.195875-68-4, Monoamine transporter inhibitor
Basic Description
Synonyms
NS-2359 | 8-AZABICYCLO(3.2.1)OCTANE, 3-(3,4-DICHLOROPHENYL)-2-(METHOXYMETHYL)-8-METHYL-, (1R,2R,3S,5S)- | UNII-76H76554PA | DB05805 | GSK-372475 | CHEMBL4297385 | NS 2359 | NS2359 | SCHEMBL2996257 | GSK 372475 | AKOS040747612 | PGYDXVBZYKQYCS-VPWBDBDCSA-N
Action Type
INHIBITOR
Mechanism of action
Monoamine transporter inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Dichlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
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
(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
INCHI
InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1
InChIKey
PGYDXVBZYKQYCS-VPWBDBDCSA-N
Smiles
CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)COC
Isomeric SMILES
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC
Molecular Weight
314.2
Reaxy-Rn
11758788
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11758788&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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