CAS No.15676-16-1,Sulpiride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15676-16-1
Name:	Sulpiride
Article Data:	36
Cas Database

Formula:	C₁₅H₂₃N₃O₄S
Molecular Weight:	341.431
Synonyms:	Mirbanil;Misulvan;N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide;Splotin;Sulpirid;Sulpitil;Sulpyrid;Synedil;o-Anisamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl- (8CI);Abilit;Aiglonyl;
EINECS:	239-753-7
Density:	1.236 g/cm³
Melting Point:	180-185 °C
Solubility:	45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 8.0 mg/mL
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	110.11000
LogP:	2.66660

Synthetic route

: 26116-12-1
1-ethyl-2-pyrrolidinemethanamine

: 33045-53-3
2-methoxy-5-sulfamoylbenzoic acid ethyl ester

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
In glycerol at 110 - 120℃; for 4h;	88.5%

: 26116-12-1
1-ethyl-2-pyrrolidinemethanamine

: 33045-52-2
methyl 2-methoxy-5-sulfamoyl-benzoate

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
In glycerol at 90 - 95℃; for 10h; Inert atmosphere;	88.4%
In ethylene glycol at 90 - 100℃; Solvent; Inert atmosphere;	85.1%
at 100℃; for 3h;	75%

: C15H21N4O2(1+)*BF4(1-)

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
With sodium metabisulfite; sodium azide; tetrabutylammomium bromide; triphenylphosphine In water; acetonitrile at 80℃; for 12h; Inert atmosphere;	60%
With sodium metabisulfite; sodium azide; tetrabutylammomium bromide; triphenylphosphine In water; acetonitrile at 80℃; for 4h; Inert atmosphere; Schlenk technique;	60%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 22117-85-7
2-methoxy-5-sulfamoylbenzoic acid

: 75513-55-2
N-hydroxysuccinimido diphenyl phosphate

: 74402-54-3
N-ethyl-2-aminomethylpyrrole

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile	24%

...Expand

: 1-ethyl-2-(nitromethylene)pyrrolidine

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 76 percent / hydrogen / Raney nickel / methanol / 5 h / 85 °C / 52504.2 Torr 2: 75 percent / 3 h / 100 °C View Scheme

: 26116-12-1
1-ethyl-2-pyrrolidinemethanamine

: 22117-85-7
2-methoxy-5-sulfamoylbenzoic acid

: 54769-22-1
1-methanesulfonyloxy-1,2,3-benzotriazole

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
With ammonium hydroxide; triethylamine In tetrahydrofuran; hydrogenchloride

...Expand

: C28H34N5O6S(1+)

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dichloromethane; water / 12 h / 20 °C 2: aq. buffer / pH 7.2 / Irradiation View Scheme

: 1-((8-cyano-7-hydroxyquinolin-2-yl)methyl)-1-ethyl-2-((2-methoxy-5-sulfamoylbenzamido)methyl)pyrrolidin-1-ium 2,2,2-trifluoroacetate

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

Conditions

Conditions	Yield
In aq. buffer pH=7.2; Irradiation;

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

: 74-88-4
methyl iodide

: 2-<(2-methoxy-5-sulfamoylbenzamido)methyl>-1-ethyl-1-methylpyrrolidinium iodide

Conditions

Conditions	Yield
In acetonitrile for 2h; Heating;	94.6%

: 67-56-1
methanol

: 15676-16-1
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

: ethyl 4-methoxy-3-(((1-methylpyrrolidin-2-yl)methyl)carbamoyl)benzenesulfonate

Conditions

Conditions	Yield
With pyrylium tetrafluoroborate In tert-butyl alcohol at 60℃; for 3h;	90%

Raw Materials

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Specification

The Sulpiride, with the CAS registry number 15676-16-1, is also known as 5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide. It belongs to the product categories of Sulpiride; Dopamine Receptor. Its EINECS registry number is 239-753-7. This chemical's molecular formula is C₁₅H₂₃N₃O₄S and molecular weight is 341.427. Its IUPAC name is called N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide. This chemical's classification codes are Antidepressant; Antidepressive Agents; Antidepressive Agents, Second-Generation; Antipsychotic Agents; Central Nervous System Agents; Central Nervous System Depressants; Dopamine Agents; Dopamine Antagonists; Drug / Therapeutic Agent; Human Data; Neurotransmitter Agents; Psychotropic Drugs; Reproductive Effect; Tranquilizing Agents.

Physical properties of Sulpiride: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/LogD (pH 7.4): -1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 88.18 cm³; (14)Molar Volume: 276.1 cm³; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.236 g/cm³.

Preparation of Sulpiride: this chemical can be prepared by C-(1-ethyl-pyrrolidin-2-yl)-methylamine and methyl 5-sulfamoyl-o-anisate. The reaction time is 3 hours with reaction temperature of 100 °C. The yield is about 75%.

Sulpiride can be prepared by C-(1-ethyl-pyrrolidin-2-yl)-methylamine and methyl 5-sulfamoyl-o-anisate

Uses of Sulpiride: it can be used to produce 2-[(2-methoxy-5-sulfamoylbenzamido)methyl]-1,1-diethylpyrrolidinium iodide by heating. This reaction will need solvent acetonitrile with reaction time of 6.5 hours. The yield is about 82.6%.

Sulpiride can be used to produce 2-[(2-methoxy-5-sulfamoylbenzamido)methyl]-1,1-diethylpyrrolidinium iodide by heating

Sulpiride has so many uses as the following: (1)Productive psychosis: treatment with rather high doses—in excess of 600 mg daily; (2)Long-term treatment of negative (unproductive) psychosis: in moderate doses (approx. 600 mg daily). (3)Treatment of depression and vertigo: in low to moderate doses (50 to 200 mg daily). (4)Levosulpiride has also been promoted as a gastroprokinetic agent.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
(2)InChI: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
(3)InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	137mg/kg (137mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
dog	LD50	oral	2gm/kg (2000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
dog	LD50	subcutaneous	350mg/kg (350mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
human	TDLo	intramuscular	1429ug/kg/D (1.429mg/kg)	BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
human	TDLo	oral	2143ug/kg/D (2.143mg/kg)	BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
mouse	LD50	intraperitoneal	170mg/kg (170mg/kg)		United States Patent Document. Vol. #4321378,
mouse	LD50	intravenous	48mg/kg (48mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 193, 1973.
mouse	LD50	oral	1700mg/kg (1700mg/kg)		Drugs in Japan Vol. 6, Pg. 384, 1982.
mouse	LD50	subcutaneous	290mg/kg (290mg/kg)		Drugs in Japan Vol. 6, Pg. 384, 1982.
rabbit	LD50	intravenous	63mg/kg (63mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
rabbit	LD50	oral	4gm/kg (4000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
rabbit	LD50	subcutaneous	2gm/kg (2000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
rat	LD50	intraperitoneal	210mg/kg (210mg/kg)		Drugs in Japan Vol. 6, Pg. 384, 1982.
rat	LD50	intravenous	40mg/kg (40mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 193, 1973.
rat	LD50	oral	9800mg/kg (9800mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Japan Medical Gazette. Vol. 10(7), Pg. 11, 1973.
rat	LD50	subcutaneous	360mg/kg (360mg/kg)		Drugs in Japan Vol. 6, Pg. 384, 1982.
women	LDLo	unreported	240mg/kg (240mg/kg)		Journal of Analytical Toxicology. Vol. 23, Pg. 294, 2000.