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Substance Name: Amisulpride [INN:BAN]
RN: 71675-85-9
UNII: 8110R61I4U
InChIKey: NTJOBXMMWNYJFB-UHFFFAOYSA-N

Note

  • Amino group of sulpiride on SO2 group is replaced by an ethyl group.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N3-O4-S

Molecular Weight

  • 369.483
 
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Names and Synonyms

Name of Substance

  • Amisulpride [INN:BAN]
  • Sultopride

Synonyms

  • 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-anisamid
  • 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide
  • 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide
  • Aminosultopride
  • Amisulprida
  • Amisulprida [INN-Spanish]
  • Amisulpride
  • Amisulpridum
  • Amisulpridum [INN-Latin]
  • APD421
  • DAN 2163
  • EINECS 275-831-7
  • Solian
  • Sulpitac
  • UNII-8110R61I4U

Systematic Names

  • 4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide
  • Amisulpride
  • Benzamide, 4-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-

Registry Numbers

CAS Registry Number

  • 71675-85-9

FDA UNII

  • 8110R61I4U

System Generated Number

  • 0071675859

Structure Descriptors

InChI

1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)

InChIKey

NTJOBXMMWNYJFB-UHFFFAOYSA-N

Smiles

C1C[N@@](CC)[C@@H](C1)CNC(=O)c1c(cc(c(c1)S(CC)(=O)=O)N)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   United States Patent Document. Vol. #4401822,
mouse LD50 intravenous 56mg/kg (56mg/kg)   United States Patent Document. Vol. #4401822,
mouse LD50 oral 1024mg/kg (1024mg/kg)   United States Patent Document. Vol. #4401822,
mouse LD50 subcutaneous 224mg/kg (224mg/kg)   United States Patent Document. Vol. #4401822,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 126-127 deg C   EXP
pKa Dissociation Constant 9.37 (none)   EXP
log P (octanol-water) 1.1 (none)   EXP
Water Solubility 543 mg/L 25 EST
Vapor Pressure 2.63E-12 mm Hg 25 EST
Henry's Law Constant 2.12E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.19E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.