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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Dosulepin , Serotonin transporter inhibitor, CAS No.113-53-1, Serotonin transporter inhibitor
Synonyms
Dosulepin | 3-(6H-Dibenzo(b,e)thiepin-11-yliden)-N,N-dimethylpropylamin | 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin | 3-Dibenzo[b,e]thiepin-11(6H)-ylidine-N,N-dimethyl-propanamine | NCGC00016549-01 | NCGC00016549-05 | UNII-W13O82Z7HL
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
Dosulepin | 3-(6H-Dibenzo(b, e)thiepin-11-yliden)-N, N-dimethylpropylamin | 11-(3-Dimethylaminopropylidene)-6, 11-dihydrodibenzo(b, e)thiepin | 3-Dibenzo[b, e]thiepin-11(6H)-ylidine-N, N-dimethyl-propanamine | NCGC00016549-01 | NCGC00016549-05 | UNII-W13O82Z7HL
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Serotonin transporter inhibitor
Propiedades del producto Nombres e identificadores Sonrisas canónicas CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 IUPAC Name (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine InChIKey PHTUQLWOUWZIMZ-BOPFTXTBSA-N INCHI 1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- Isómeros SMILES CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31 WGK Alemania 1 Peso molecular 295.44 Reaxy-Rn 1348850 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1348850&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Benzothiepins Subclass Dibenzothiepins Intermediate Tree Nodes Not available Direct Parent Dibenzothiepins Alternative Parents Alkylarylthioethers Benzenoids Trialkylamines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzothiepin - Aryl thioether - Alkylarylthioether - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring. External Descriptors dothiepin 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.
Estructura 3D Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de inflamación (°F) 48.2 °F Punto de inflamación (°C) 9 °C Peso molecular 295.400 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 295.139 Da Monoisotopic Mass 295.139 Da Topological Polar Surface Area 28.500 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 363.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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