Information
Cinitapride Hydrogen Tartrate is a gastroprokinetic agent that acts as an agonist of the 5-HT1 and 5-HT4 receptors and as an antagonist of the 5-HT2 receptors
Targets
5-HT1 ; 5-HT2 ; 5-HT4
| ALogP | -2.325 |
|---|---|
| hba_count | 4 |
| Recuento HBD | 4 |
| Enlace rotable | 10 |
| Sonrisas canónicas | CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(2R,3R)-2,3-dihydroxybutanedioic acid |
| InChIKey | HVANMRCHFMTSEG-LREBCSMRSA-N |
| INCHI | 1S/C21H30N4O4.C4H6O6/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15;5-1(3(7)8)2(6)4(9)10/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 |
| Isómeros SMILES | CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| Peso molecular | 552.57 |
| Reaxy-Rn | 8466106 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8466106&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Aminobenzamides Benzamides Aminophenyl ethers Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Aniline and substituted anilines Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Piperidines Alpha hydroxy acids and derivatives Fatty acids and conjugates Monosaccharides Amino acids and derivatives 1,2-diols Secondary alcohols Secondary carboxylic acid amides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Nitrophenyl ether - Aminobenzoic acid or derivatives - Aminobenzamide - Benzoic acid or derivatives - Benzamide - Aminophenyl ether - Benzoyl - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol ether - Short-chain hydroxy acid - Sugar acid - Beta-hydroxy acid - Alkyl aryl ether - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Piperidine - Hydroxy acid - Alpha-hydroxy acid - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Tertiary aliphatic amine - Carboxamide group - Organic nitro compound - Amino acid or derivatives - 1,2-diol - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxoazanium - Amine - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 F2413007 | Certificate of Analysis | Apr 29, 2026 | C420912 |
| DMSO (mg/ml) Solubilidad máxima | 59 |
|---|---|
| DMSO (mM) Solubilidad máxima | 106.773802414174 |
| Agua (mg/ml) Solubilidad máxima | 5 |
| Agua (mM) Solubilidad máxima | 9.04862732323506 |
| Peso molecular | 552.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 552.243 Da |
| Monoisotopic Mass | 552.243 Da |
| Topological Polar Surface Area | 228.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 720.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
