HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 2159Erstellt: 2. November 2026

Amisulpride

SOLIAN · 4-amino-n-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzam · 4-amino-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide · SOCIAN · AmisuL · Sulamid · DENIBAN · DAN-2163

https://huagongshe.com/de/chemical/2159

Identifikatoren & physikalische Daten

CAS No.	53583-79-2
Summenformel	C17H27N3O4S
Durchschnittliche Molmasse	369,5 g/mol
Monoisotopische Masse	369,17222752 g/mol
SMILES	CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
InChIKey	NTJOBXMMWNYJFB-UHFFFAOYSA-N
PubChem CID	2159
ChEMBL	CHEMBL243712
ChEBI	CHEBI:64045
EC No.	275-831-7
DTXSID	DTXSID5042613

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	110
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	7
Schwere Atome	25
Formalladung	0
Komplexität	549
LogP (Verteilungskoeffizient)	1.061.10
Löslichkeit	Insoluble2.93e-01 g/LDMSO: ≥5 mg/mL
Schmelzpunkt	126-127126 - 127 °C124-128
Physical Description	Solid
Dissociation Constants	9.37
Collision Cross Section	193.1 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
Siedepunkt	558.9±50.0 °C(Predicted)
Dichte	1.200±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	13.73±0.46(Predicted)
Farbe	white
Merck	14,485
Hauptanwendungen	pharmaceutical (small molecule)
InChI	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	C(NCC1CCCN1CC)(=O)C1=CC(S(CC)(=O)=O)=C(N)C=C1OC
CAS Datenbank	71675-85-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3.3% (2 of 61) of reports.WarningH302 (88.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (14.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H319 (19.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (14.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (19.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 61 reports by companies.There are 7 notifications provided by 59 of 61 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (88.5%)Acute Tox. 4 (14.8%)Eye Irrit. 2 (19.7%)STOT SE 3 (19.7%)
Hepatotoxicity	Intravenous single doses of amisulpride are generally well tolerated, and in multiple randomized controlled trials were not associated with rates of serum aminotransferase or bilirubin elevations above those that occurred in placebo treated subjects. While oral amisulpride has been linked to transient serum aminotransferase elevations during therapy, single intravenous doses of amisulpride have not been linked to liver enzyme elevations in excess of rates found postoperatively. Since its approval and more widespread use, amisulpride has not been implicated in cases of clinically apparent liver injury.Likelihood score: E (unlikely cause of clinically apparent liver injury).

Anwendungen & Verwendung

Beschreibung

Amisulpride i s a n antipsychotic agent structurally related to sulpiride and sultopride. Useful in the treatment of schizophrenia, it is not, however, without EPS liability.

Verwenden

Amisulpride is a neuroleptic agent, an analogue of Sulpiride (S689145). Amisulpride is used as an antipsychotic. Amisulpride is a dopamine receptor antagonist.

CAS No.

53583-79-2

Summenformel

C17H27N3O4S

Durchschnittliche Molmasse

369,5 g/mol

Monoisotopische Masse

369,17222752 g/mol

SMILES

CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC

InChIKey

NTJOBXMMWNYJFB-UHFFFAOYSA-N

PubChem CID

2159

ChEMBL

CHEMBL243712

ChEBI

CHEBI:64045

EC No.

275-831-7

DTXSID

DTXSID5042613

Chemische & physikalische Eigenschaften

XLogP

1,5

Polarare Oberfläche (TPSA)

110

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

549

LogP (Verteilungskoeffizient)

1.061.10

Löslichkeit

Insoluble2.93e-01 g/LDMSO: ≥5 mg/mL

Schmelzpunkt

126-127126 - 127 °C124-128

Physical Description

Solid

Dissociation Constants

9.37

Collision Cross Section

193.1 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]

Siedepunkt

558.9±50.0 °C(Predicted)

Dichte

1.200±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C

Aggregatzustand

solid

pKa (Säurekonstante)

13.73±0.46(Predicted)

Farbe

white

Merck

14,485

Hauptanwendungen

pharmaceutical (small molecule)

InChI

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

C(NCC1CCCN1CC)(=O)C1=CC(S(CC)(=O)=O)=C(N)C=C1OC

CAS Datenbank

71675-85-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 3.3% (2 of 61) of reports.WarningH302 (88.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (14.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H319 (19.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (14.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (19.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 61 reports by companies.There are 7 notifications provided by 59 of 61 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

Acute Tox. 4 (88.5%)Acute Tox. 4 (14.8%)Eye Irrit. 2 (19.7%)STOT SE 3 (19.7%)

Hepatotoxicity

Intravenous single doses of amisulpride are generally well tolerated, and in multiple randomized controlled trials were not associated with rates of serum aminotransferase or bilirubin elevations above those that occurred in placebo treated subjects. While oral amisulpride has been linked to transient serum aminotransferase elevations during therapy, single intravenous doses of amisulpride have not been linked to liver enzyme elevations in excess of rates found postoperatively. Since its approval and more widespread use, amisulpride has not been implicated in cases of clinically apparent liver injury.Likelihood score: E (unlikely cause of clinically apparent liver injury).

Anwendungen & Verwendung

Beschreibung

Amisulpride i s a n antipsychotic agent structurally related to sulpiride and sultopride. Useful in the treatment of schizophrenia, it is not, however, without EPS liability.

Verwenden

Amisulpride is a neuroleptic agent, an analogue of Sulpiride (S689145). Amisulpride is used as an antipsychotic. Amisulpride is a dopamine receptor antagonist.