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Mosapride Citrate
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Name

Mosapride Citrate

 EINECS 601-211-6
CAS No. 112885-42-4 Density N/A
PSA 227.41000 LogP 2.62370
Solubility N/A Melting Point 143-145°
Formula C21H25ClFN3O3.C6H8O7 Boiling Point 549.2 °C at 760 mmHg
Molecular Weight 616.014 Flash Point 286 °C
Transport Information N/A Appearance white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 112885-42-4 (Mosapride citrate) Hazard Symbols N/A
Synonyms

Gasmotin;Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Benzamide,4-amino-5-chloro-2-ethoxy-N- [[4-[(4-fluorophenyl)methyl]-2-morpholinyl]- methyl]-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);(+-)-4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide citrate;Gasmotin (TN);4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid;AS 4370;（±）- 4 –Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide citrate dihydrate;4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]-benzamide 2-hydroxy-1,2,3-propanetricarboxylate;

Article Data 7

Mosapride Citrate Synthetic route

112885-41-3

mosapride

77-92-9

citric acid

112885-42-4

mosapride citrate

Conditions
ConditionsYield
In ethanol; water at 70 - 75℃; for 0.5h; Temperature;97.2%
at 80 - 110℃; for 0.5h; Product distribution / selectivity;95.45%
In ethanol; water at 50℃; for 1h; Solvent; Temperature;94.7%
In ethanol; water at 20℃; for 2h;89%
112885-34-4

4-acetylamino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2-morpholinyl]methyl]benzamide

77-92-9

citric acid

112885-42-4

mosapride citrate

Conditions
ConditionsYield
In methanol; water at 50 - 65℃; Temperature;88.7%

(RS)-4-amino-5-chloro-2-ethoxy-N-{[4-(4-fluoro-benzyl)-2-morpholinyl]-methyl}-benzamide dihydrochloride

77-92-9

citric acid

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Stage #1: (RS)-4-amino-5-chloro-2-ethoxy-N-{[4-(4-fluoro-benzyl)-2-morpholinyl]-methyl}-benzamide dihydrochloride With sodium hydroxide In dichloromethane; water for 0.5h; Heating / reflux;
Stage #2: citric acid In water at 0℃; for 0.5h; Heating / reflux;		88%
112885-41-3

mosapride

112885-42-4

mosapride citrate

Conditions
ConditionsYield
With citric acid In water at 0℃; Heating / reflux;86%
636582-76-8

(RS)-4-amino-5-chloro-2-ethoxy-N-{[4-(4-fluoro-benzyl)-2-morpholinyl]-methyl}-benzamide trifluoroacetate

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Stage #1: (RS)-4-amino-5-chloro-2-ethoxy-N-{[4-(4-fluoro-benzyl)-2-morpholinyl]-methyl}-benzamide trifluoroacetate With sodium hydroxide In dichloromethane; water
Stage #2: With citric acid In water		83%

4-(4-fluorobenzyl)-2-aminomethylmorpholine sulfate

C13H16ClNO4

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
2: methanol; water / 50 - 65 °C
View Scheme

4-(4-fluorobenzyl)-2-aminomethylmorpholine hydrochloride

C13H16ClNO4

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
2: methanol; water / 50 - 65 °C
View Scheme

4-(4-fluorobenzyl)-2-aminomethylmorpholine phosphate

C13H16ClNO4

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
2: methanol; water / 50 - 65 °C
View Scheme

C12H17FN2O4S

C13H16ClNO4

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
2: methanol; water / 50 - 65 °C
View Scheme
133-10-8

sodium p-aminosalicylate

112885-42-4

mosapride citrate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: water / 4 h / 45 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C
3: N-chloro-succinimide / N,N-dimethyl-formamide / 3 h / 80 °C
4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
5: methanol; water / 50 - 65 °C
View Scheme
Multi-step reaction with 5 steps
1: water / 4 h / 45 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C
3: N-chloro-succinimide / N,N-dimethyl-formamide / 3 h / 80 °C
4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
5: methanol; water / 50 - 65 °C
View Scheme
Multi-step reaction with 5 steps
1: water / 4 h / 45 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C
3: N-chloro-succinimide / N,N-dimethyl-formamide / 3 h / 80 °C
4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
5: methanol; water / 50 - 65 °C
View Scheme
Multi-step reaction with 5 steps
1: water / 4 h / 45 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C
3: N-chloro-succinimide / N,N-dimethyl-formamide / 3 h / 80 °C
4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
5: methanol; water / 50 - 65 °C
View Scheme
Multi-step reaction with 5 steps
1: water / 4 h / 45 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C
3: N-chloro-succinimide / N,N-dimethyl-formamide / 3 h / 80 °C
4: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; triethylamine / dichloromethane / 1 h / -10 - -5 °C
5: methanol; water / 50 - 65 °C
View Scheme

Mosapride Citrate Specification

The CAS register number of Mosapride Citrate is 112885-42-4. It also can be called as Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) and the IUPAC name about this chemical is 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid. The molecular formula about this chemical is C27H33ClFN3O10 and the molecular weight is 614.02. It belongs to the Gastroprokinetic Agent.

Physical properties about Mosapride Citrate are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 11.7; (5)ACD/BCF (pH 7.4): 76.6; (6)ACD/KOC (pH 5.5): 116.16; (7)ACD/KOC (pH 7.4): 760.78; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 45.25Å2; (12)Flash Point: 286 °C; (13)Enthalpy of Vaporization: 82.9 kJ/mol; (14)Boiling Point: 549.2 °C at 760 mmHg; (15)Vapour Pressure: 4.11E-12 mmHg at 25°C.

The Mosapride Citrate is used for  functional dyspepsia with heartburn, belching, nausea, vomiting, early satiety, the abdominal distension, gastrointestinal symptoms such as upper abdominal pain. In addition, this chemical can also be used for gastroesophageal reflux disease, diabetic gastroparesis, and gastric resection in patients with dysfunction of the stomach.

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

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 400mg/kg (400mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
mouse LD50 intraperitoneal 914mg/kg (914mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
mouse LD50 oral > 3gm/kg (3000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LIVER: OTHER CHANGES		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
rat LD50 oral > 3gm/kg (3000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 3343, 1993.

 

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