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15676-16-1

Basic Information
CAS No.: 15676-16-1
Name: Benzamide,5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-
Molecular Structure:
Molecular Structure of 15676-16-1 (Benzamide,5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-)
Formula: C15H23N3O4S
Molecular Weight: 341.42
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
Boiling Point:
Flash Point:
Solubility: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 8.0 mg/mL
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 110.11000
LogP: 2.66660
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    Description: English Name: Sulpiride Other Name: Ekilid CAS No.:15676-16-1 EINECS No.: 239-753-7 MF: C15H23N3O4S MW: 341.43 Melting point:177~180°C Appearance: White crystalline powder Sulpiride is a first generation,

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  • Benzamide,5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-

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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.

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