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· · COA & SDS available for every product · Same-day shipping on in-stock items ezlopitant - Moligand™ , Neurokinin 1 receptor antagonist, CAS No.147116-64-1, Neurokinin 1 receptor antagonist
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
Ezlopitant [USAN:INN] | (7S,8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine | (2S,3S)-2-(Diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine | DTXSID601318557 |
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Why this grade Moligand™ Moligand™ 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 Synonyms
Ezlopitant [USAN:INN] | (7S, 8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine | (2S, 3S)-2-(Diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine | DTXSID601318557 |
Specifications & Purity
Moligand™
Mechanism of action
Neurokinin 1 receptor antagonist
Product Properties Names and Identifiers Canonical Smiles CC(C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3 IUPAC Name (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N INCHI 1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1 Isomeric SMILES CC(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 Alternate CAS 147116-64-1 PubChem CID 188927 MeSH Entry Terms (2S,3S,4S)-2-diphenylmethyl-3-(5-isopropyl-2-methoxybenzylamino)-1-azabicyclo(2.2.2)octane;1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N- ((2-methoxy-5-(1-methylethyl)phenyl)methyl)-, (2S-cis)-;2-diphenylmethyl-3-(5-isopropyl-2-methoxybenzylamino Molecular Weight 454.6
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 Class Benzene and substituted derivatives Subclass Diphenylmethanes Intermediate Tree Nodes Not available Direct Parent Diphenylmethanes Alternative Parents Phenylpropanes Cumenes Quinuclidines Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aminopiperidines Aralkylamines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Diphenylmethane - Cumene - Phenylpropane - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Quinuclidine - Alkyl aryl ether - 3-aminopiperidine - Aralkylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 454.600 g/mol XLogP3 6.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 8 Exact Mass 454.298 Da Monoisotopic Mass 454.298 Da Topological Polar Surface Area 24.500 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 585.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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