Cinitapride tartrate
Basic information
- CAS
1207859-16-2- Standard SMILES
CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
HVANMRCHFMTSEG-LREBCSMRSA-N- Molecular formula
- C25H36N4O10
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.24314336
Names & identifiers
- Preferred name
- Cinitapride tartrate
- IUPAC
- 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(2R,3R)-2,3-dihydroxybutanedioic acid
- English name
- HVANMRCHFMTSEG-LREBCSMRSA-N
- Molecular formula
- C25H36N4O10
- Molecular weight
- 552.58
Names & synonyms
cinitapride tartrate1207859-16-2CidineLAS-171772Z90GEN540Benzamide, 4-amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl)-2-ethoxy-5-nitro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)RefChem:126232Cinitapride tartrate [MI]BlastonUNII-2Z90GEN54096623-56-2Cinitapride (monotartrate)
Show more names
RMA-813HVANMRCHFMTSEG-LREBCSMRSA-N
4-Amino-N-(1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl)-2-ethoxy-5-nitrobenzamide (2R,3R)-2,3-dihydroxysuccinate4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(2R,3R)-2,3-dihydroxybutanedioic acidBlaston (TN)Cinitapride L-TartrateCinitapride monotartrateCinitapride hygrogen tartrateorb1704838SCHEMBL29692032
Database identifiers
- CAS
1207859-16-2- PubChem CID
- 6917844
- UNII
- 2Z90GEN540
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 59 mg/mL · DMSO: 59 mg/mL (106.77 mM);Ethanol: Insoluble
- Water Solubility
- 5 mg/mL · Water: 5 mg/mL (9.05 mM)
- FDA UNII
- 2 Z90GEN540 · 2Z90GEN540
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Applications
UsesCinitapride monotartrate is a 5-HT1A and 5-HT4 agonist. Cinitapride monotartrate is also a 5-HT2A and D2 antagonist. Cinitapride monotartrate can be used for the research of functional dyspepsia[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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