CAS No.112885-41-3,4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	112885-41-3
Name:	4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide
Article Data:	7

Formula:	C₂₁H₂₅ClFN₃O₃
Molecular Weight:	421.899
Synonyms:	Mosapid;Mosid-MT;Moza;(+-)-4-Amino-5-chloro-2-ethoxy-N-((4-(p-fluorobenzyl)-2-morpholinyl)methyl)benzamide;
Density:	1.272 g/cm³
Melting Point:	151-153 °C
Boiling Point:	549.211 °C at 760 mmHg
Flash Point:	285.953 °C
Appearance:	White to off-white crystalline solid
Hazard Symbols:	C,N,F+
Risk Codes:	R14; R34; R51/53; R12
PSA:	76.82000
LogP:	4.00080

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Specification

The Mosapride, with the CAS registry number 112885-41-3, is also known as Benzamide, 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-. It belongs to the product categories of Agro Products; Agonist; Intermediates & Fine Chemicals; Pharmaceuticals; Pharmaceutical Intermediates; Amines; Aromatics. This chemical's molecular formula is C₂₁H₂₅ClFN₃O₃ and molecular weight is 421.90. What's more, its systematic name is 4-Amino-5-chloro-2-ethoxy-N-{[4-(4-fluorobenzyl)-2-morpholinyl]methyl}benzamide. Its classification codes are: (1)Gastrointestinal Agents; (2)Neurotransmitter Agents; (3)Serotonin Agents; (4)Serotonin Agonists. This chemical is a gastroprokinetic agent that acts as a selective 5HT4 agonist which accelerates gastric emptying. It is used for the treatment of irritable bowel syndrome, acid reflux and functional dyspepsia.

Physical properties of Mosapride are: (1)ACD/LogP: 2.939; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.20; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 18.33; (6)ACD/BCF (pH 7.4): 95.41; (7)ACD/KOC (pH 5.5): 171.93; (8)ACD/KOC (pH 7.4): 894.90; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.82 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 111.109 cm³; (15)Molar Volume: 331.614 cm³; (16)Polarizability: 44.047×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 285.953 °C; (20)Enthalpy of Vaporization: 82.898 kJ/mol; (21)Boiling Point: 549.211 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OCC)cc1N)C(=O)NCC3OCCN(Cc2ccc(F)cc2)C3
(2)Std. 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)
(3)Std. InChIKey: YPELFRMCRYSPKZ-UHFFFAOYSA-N