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224,000+ productos de investigación · Triple ISO certified · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 7-Benzylidenenaltrexone , CAS No.153611-34-8
Synonyms
BNTX | 7-benzylidenenaltrexone | 7(E)-Benzylidenenaltrexone | (E)-7-Benzylidenenaltrexone | 7-Benzylidine-7-dehydronaltrexone | CHEBI:138855 | BDBM50454798 | PDSP2_001550 | SDCCGSBI-0633734.P001 | 153611-34-8 | C20167 | BRD-K18722736-001-01-3 | (4R,4aS,6E
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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
BNTX | 7-benzylidenenaltrexone | 7(E)-Benzylidenenaltrexone | (E)-7-Benzylidenenaltrexone | 7-Benzylidine-7-dehydronaltrexone | CHEBI:138855 | BDBM50454798 | PDSP2_001550 | SDCCGSBI-0633734.P001 | 153611-34-8 | C20167 | BRD-K18722736-001-01-3 | (4R, 4aS, 6E
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)O IUPAC Name (4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one InChIKey WXOUFNFMPVMGFZ-BDQAUFNLSA-N INCHI 1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1 Isómeros SMILES C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C/C6=CC=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O Peso molecular 429.5 Reaxy-Rn 6852937 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6852937&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 Benzenoids Clase Phenanthrenes and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenanthrenes and derivatives Alternative Parents Isoquinolones and derivatives Tetralins Coumarans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Benzene and substituted derivatives Tertiary alcohols Trialkylamines 1,2-aminoalcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenanthrene - Isoquinolone - Tetralin - Coumaran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Piperidine - Cyclic alcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Alcohol - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 429.500 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 429.194 Da Monoisotopic Mass 429.194 Da Topological Polar Surface Area 70.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 832.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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