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Maprotiline , CAS No.10262-69-8, Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3
Basic Description
Synonyms
Maprotylina | DB00934 | 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine | NCGC00015708-05 | NCGC00015708-11 | BDBM50378025 | HMS2089K11 | NCGC00015708-13 | NCGC00015708-02 | NCGC00016691-01 | SPBio_002332 | KBio2_001367 | Maprotilina [INN-Spanis
Specifications & Purity
Moligand™
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
CHANNEL BLOCKER, INHIBITOR
Mechanism of action
Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenes
Alternative Parents
Tetralins Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene - Tetralin - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors
anthracenes
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)
Names and Identifiers
IUPAC Name
N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
INCHI
InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
InChIKey
QSLMDECMDJKHMQ-UHFFFAOYSA-N
Smiles
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
Isomeric SMILES
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
Molecular Weight
277.4
Beilstein
2385493
Reaxy-Rn
2385493
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2385493&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (slightly).
Refractive Index
n20D1.60 (Predicted)
Boil Point(°C)
~399.6° C at 760 mmHg (Predicted)
Melt Point(°C)
93° C
Molecular Weight
277.400 g/mol
XLogP3
4.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
277.183 Da
Monoisotopic Mass
277.183 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
339.000
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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