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Synonyms
AKOS024319080 | AMY31895 | Fenazoxine hydrochloride; Lenipan; Leoplexamin; Nefopam HCl | J-007208 | Benzeneacetic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) | Headlon | Opera_ID_627 | 2-(diethylamino)ethyl 2-phenylbutan
Specifications Sinónimos
AKOS024319080 | AMY31895 | Fenazoxine hydrochloride; Lenipan; Leoplexamin; Nefopam HCl | J-007208 | Benzeneacetic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1, 2, 3-propanetricarboxylate (1:1) | Headlon | Opera_ID_627 | 2-(diethylamino)ethyl 2-phenylbutan
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488187531 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187531 Sonrisas canónicas CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O IUPAC Name 2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid InChIKey VVNURWKSPYZZCI-UHFFFAOYSA-N INCHI 1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) Isómeros SMILES CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O Peso molecular 455.5 Reaxy-Rn 3855236 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3855236&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 Organic acids and derivatives Clase Carboxylic acids and derivatives Subclass Tricarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Tricarboxylic acids and derivatives Alternative Parents Phenylpropanes Fatty acid esters Alpha hydroxy acids and derivatives Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Not available Substituents Tricarboxylic acid or derivatives - Phenylpropane - Fatty acid ester - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Hydroxy acid - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. 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) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 455.500 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 14 Exact Mass 455.216 Da Monoisotopic Mass 455.216 Da Topological Polar Surface Area 162.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 473.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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