The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole maleate , Serotonin 2a (5-HT2a) receptor antagonist, CAS No.1449581-64-9, Serotonin 2a (5-HT2a) receptor antagonist
Basic Description
Synonyms
GMDCDXMAFMEDAG-BTJKTKAUSA-N | CHEMBL3544974 | SCHEMBL6029138 | DB06216
Specifications & Purity
≥97%
Action Type
ANTAGONIST
Mechanism of action
Serotonin 2a (5-HT2a) receptor antagonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Diarylethers Aralkylamines Unsaturated fatty acids Aryl chlorides N-alkylpyrrolidines Benzenoids Dicarboxylic acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Dibenzoxepine - Diaryl ether - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Unsaturated fatty acid - N-alkylpyrrolidine - Benzenoid - Fatty acid - Fatty acyl - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
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
(Z)-but-2-enedioic acid;9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
INCHI
InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
GMDCDXMAFMEDAG-BTJKTKAUSA-N
Smiles
CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
Isomeric SMILES
CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Molecular Weight
401.8
Reaxy-Rn
23821869
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23821869&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
