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636582-62-2 molecular structure
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2-hydroxypropane-1,2,3-tricarboxylic acid; 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide

ChemBase ID: 72652
Molecular Formular: C27H33ClFN3O10
Molecular Mass: 614.0164232
Monoisotopic Mass: 613.18385017
SMILES and InChIs

SMILES:
c1(c(cc(c(c1)C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)OCC)N)Cl.OC(=O)CC(CC(=O)O)(C(=O)O)O
Canonical SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl
InChI:
InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey:
HUZTYZBFZKRPFG-UHFFFAOYSA-N

Cite this record

CBID:72652 http://www.chembase.cn/molecule-72652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxypropane-1,2,3-tricarboxylic acid; 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide
IUPAC Traditional name
citro; mosapride
Synonyms
4-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)morpholin-2-yl)methyl)benzamide 2-hydroxypropane-1,2,3-tricarboxylate
4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide 2-Hydroxy-1,2,3-propanetricarboxylate Hydrate
Mosapride Citrate Dihydrate
TAK-370
AS-4370
Gasmot
Mosapride citrate
CAS Number
636582-62-2
112885-42-4
PubChem SID
162037577
PubChem CID
119583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 119583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.464057  H Acceptors
H Donor LogD (pH = 5.5) 2.0809617 
LogD (pH = 7.4) 2.7293458  Log P 2.7489038 
Molar Refractivity 112.3429 cm3 Polarizability 42.373 Å3
Polar Surface Area 76.82 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
112-114°C expand Show data source
Storage Condition
-20°C expand Show data source
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Target
5-HT receptor expand Show data source
Salt Data
Citrate expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals TRC TRC
Selleck Chemicals - S1385 external link
Research Area: Endocrinology
Biological Activity:
Mosapride is a gastroprokinetic agent that acts as a selective 5HT4 agonist which accelerates gastric emptying and is used for the treatment of acid reflux, irritable bowel syndrome and functional dyspepsia. [1]References on Mosapride citrate[1] http://en.wikipedia.org/wiki/Mosapride, ,
Toronto Research Chemicals - M730995 external link
A selective 5-HT4 receptor agonist. Gastroprokinetic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • http://en.wikipedia.org/wiki/Mosapride
  • • Yoshida, N., et al.: Arch. Int. Pharmacodyn. Ther., 300, 51 (1989)
  • • Yatera, S., et al.: Japan. Pharmacol. Ther., 21, 21 (1989)
  • • Ruth, M., et al.: Aliment Pharmacol. Ther., 12, 35 (1989)
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PATENTS

PATENTS

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INTERNET

INTERNET

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