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· · COA & SDS available for every product · Same-day shipping on in-stock items (S)-cetirizine - Moligand™ , Antagonist of H 1 receptor, CAS No.130018-76-7, Antagonist of H 1 receptor
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
GTPL1215 | PDSP2_000530 | Cetirizine, (S)- | BDBM85029 | SCHEMBL5526985 | NCGC00016949-01 | NC00271 | Acetic acid, (2-(4-((S)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- | UNII-V57G6B5I8Z | (S)-2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-
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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
GTPL1215 | PDSP2_000530 | Cetirizine, (S)- | BDBM85029 | SCHEMBL5526985 | NCGC00016949-01 | NC00271 | Acetic acid, (2-(4-((S)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- | UNII-V57G6B5I8Z | (S)-2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of H 1 receptor
Names and Identifiers Canonical Smiles OC(=O)COCCN1CCN(CC1)[C@H](c1ccc(cc1)Cl)c1ccccc1 IUPAC Name 2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid InChIKey ZKLPARSLTMPFCP-NRFANRHFSA-N INCHI 1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1 Isomeric SMILES C1CN(CCN1CCOCC(=O)O)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl PubChem CID 150716
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 N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Diphenylmethane - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - 1,4-diazinane - Aryl chloride - Piperazine - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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 388.900 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 8 Exact Mass 388.155 Da Monoisotopic Mass 388.155 Da Topological Polar Surface Area 53.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 443.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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