≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Orvepitant maleate (GW823296 maleate) is potent, selective and well-tolerated neurokinin-1 receptor (NK-1) antagonist with a pKi of 10.2 for human neurokinin-1 receptor. Orvepitant maleate can across the blood-brain barrier. Orvepitant maleate has the potential for depressive disorder and chronic refractory cough (CRC) treatment.
| Canonical Smiles | CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5C(C4)CCC5=O.C(=CC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid |
| InChIKey | IPACOHTZCSBGBV-WUXDIRCFSA-N |
| INCHI | 1S/C31H35F7N4O2.C4H4O4/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24+,25+,27-;/m1./s1 |
| Isomeric SMILES | CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O.C(=C\C(=O)O)\C(=O)O |
| Alternate CAS | 579475-24-4 |
| PubChem CID | 44225656 |
| Molecular Weight | 744.70 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Trifluoromethylbenzenes Piperidinecarboxamides Aminopiperidines Aralkylamines Toluenes Fluorobenzenes N-alkylpiperazines Unsaturated fatty acids Aryl fluorides Pyrrolidine-2-ones Dicarboxylic acids and derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Trialkylamines Ureas Amino acids and derivatives Lactams Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Phenylpiperidine - Trifluoromethylbenzene - 1-piperidinecarboxamide - Piperidinecarboxamide - 4-aminopiperidine - Halobenzene - Toluene - Fluorobenzene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Piperazine - N-alkylpyrrolidine - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - 1,4-diazinane - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alkyl fluoride - Amine - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 30 mg/mL (40.28 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 744.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 744.276 Da |
| Monoisotopic Mass | 744.276 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1140.000 |
| 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 | 2 |
