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HCID 2159생성일: 2026년 11월 4일

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/ko/chemical/2159

식별자 및 물리적 특성

CAS No.	53583-79-2
분자식	C17H27N3O4S
평균 분자량	369.5 g/mol
단동위원소 질량	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

화학 및 물리적 성질

XLogP	1.5
극성 표면적	110
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	7
무거운 원자 수	25
형식 전하	0
복잡도	549
LogP(분배 계수)	1.061.10
용해도	Insoluble2.93e-01 g/LDMSO: ≥5 mg/mL
녹는점	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)]
끓는 점	558.9±50.0 °C(Predicted)
밀도	1.200±0.06 g/cm3(Predicted)
저장 조건	2-8°C
물리적 상태	고체
pKa(산도 계수)	13.73±0.46(Predicted)
색상	하얀색
Merck	14,485
주요 응용	의약품(소분자)
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

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류	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).

용도

개요

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.

용도

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

분자식

C17H27N3O4S

평균 분자량

369.5 g/mol

단동위원소 질량

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

화학 및 물리적 성질

XLogP

1.5

극성 표면적

110

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

549

LogP(분배 계수)

1.061.10

용해도

Insoluble2.93e-01 g/LDMSO: ≥5 mg/mL

녹는점

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)]

끓는 점

558.9±50.0 °C(Predicted)

밀도

1.200±0.06 g/cm3(Predicted)

저장 조건

2-8°C

물리적 상태

고체

pKa(산도 계수)

13.73±0.46(Predicted)

색상

하얀색

Merck

14,485

주요 응용

의약품(소분자)

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

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

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).

용도

개요

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.

용도

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