Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application:
The active metabolite of Terfenadine, a H1-histamine receptor antagonist.
| Pubchem Sid | 504750663 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750663 |
| Canonical Smiles | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O |
| IUPAC Name | 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| INCHI | 1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| Isomeric SMILES | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O |
| Molecular Weight | 501.66 |
| Reaxy-Rn | 6832242 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6832242&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Phenylbutylamines Phenylpropanes Aralkylamines Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Phenylbutylamine - Phenylpropane - Aralkylamine - Piperidine - Tertiary alcohol - Amino acid or derivatives - Secondary alcohol - Amino acid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Aromatic alcohol - Alcohol - 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 | piperidines - tertiary amine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 24, 2025 | F339243 | |
| Certificate of Analysis | Mar 29, 2025 | F339243 | |
| Certificate of Analysis | Mar 29, 2025 | F339243 | |
| Certificate of Analysis | Mar 29, 2025 | F339243 | |
| Certificate of Analysis | Mar 29, 2025 | F339243 | |
| Certificate of Analysis | Dec 20, 2024 | F339243 | |
| Certificate of Analysis | Dec 20, 2024 | F339243 | |
| Certificate of Analysis | Dec 20, 2024 | F339243 | |
| Certificate of Analysis | Dec 20, 2024 | F339243 | |
| Certificate of Analysis | Oct 10, 2023 | F339243 | |
| Certificate of Analysis | Oct 10, 2023 | F339243 | |
| Certificate of Analysis | Oct 10, 2023 | F339243 | |
| Certificate of Analysis | Oct 09, 2023 | F339243 | |
| Certificate of Analysis | Oct 09, 2023 | F339243 | |
| Certificate of Analysis | Oct 09, 2023 | F339243 | |
| Certificate of Analysis | Oct 09, 2023 | F339243 | |
| Certificate of Analysis | Oct 09, 2023 | F339243 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Heat sensitive |
| Melt Point(°C) | >207°C (dec.) |
| Molecular Weight | 501.700 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 501.288 Da |
| Monoisotopic Mass | 501.288 Da |
| Topological Polar Surface Area | 81.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 678.000 |
| 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 | 1 |
| 1. Chen Yanming, Xiao Xinyi, Huang Chaonan, Zhu Jin, Zhou Huiling, Qin Huimin, Bao Yu, Zhuang Tao, Zhang Guisen. (2023) Flupirtine and antihistamines exert synergistic anti-nociceptive effects in mice. PSYCHOPHARMACOLOGY, 240 (4): (881-897). [PMID:36752814] [10.1007/s00213-023-06329-3] |
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