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112885-41-3 molecular structure
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4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide

ChemBase ID: 69367
Molecular Formular: C21H25ClFN3O3
Molecular Mass: 421.8929032
Monoisotopic Mass: 421.15684758
SMILES and InChIs

SMILES:
C(=O)(c1c(cc(c(c1)Cl)N)OCC)NCC1CN(CCO1)Cc1ccc(cc1)F
Canonical SMILES:
CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl
InChI:
InChI=1S/C21H25ClFN3O3/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/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey:
YPELFRMCRYSPKZ-UHFFFAOYSA-N

Cite this record

CBID:69367 http://www.chembase.cn/molecule-69367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide
IUPAC Traditional name
mosapride
Synonyms
4-Amino-5-chloro-2-ethoxy-N-[[4-(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide
Mosapid
Mosid-MT
Moza
Mosapride
4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide
CAS Number
112885-41-3
MDL Number
MFCD00867430
PubChem SID
162035093
PubChem CID
119584

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 119584 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.464057  H Acceptors
H Donor LogD (pH = 5.5) 2.080962 
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
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Apperance
White to Off-White Crystalline Solid expand Show data source
Melting Point
151-153°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M731000 external link
A selective 5-HT4 receptor agonist. Gastroprokinetic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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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