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네오스티그민 메틸 황산염

Neostigmine Methylsulfate

HCID 5824
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
51-60-5
표준 SMILES
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]
InChIKey
OSZNNLWOYWAHSS-UHFFFAOYSA-M
분자식
C13H22N2O6S
평균 분자량
334.39 g/mol
단동위원소 질량
334.11985742

개요

Neostigmine methyl sulfate is an arylammonium sulfate salt. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor.

이름 및 식별자

우선 이름
Neostigmine Methylsulfate
IUPAC
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
현지명
네오스티그민 메틸 황산염
영어명
Neostigmine Methyl Sulfate
분자식
C12H19N2O2.CH3O4S
분자량
334.39

이름 및 동의어

Neostigmine methyl sulfate51-60-5NEOSTIGMINE METHYLSULFATENeostigmine metilsulfateSyntostigminNeostigmine methylsulphateProserineIntrastigminaBloxiverz(m-Hydroxyphenyl)trimethylammonium methyl sulfate dimethylcarbamateNSC-93753Neostigmini metilsulfas
이름 더 보기
네오스티그민메틸황산염네오스티그민메틸황산염네오스티그민메틸설페이트NEOSTIGMINE METHYL SULPHATEhodostinvagostigminNEOSTIGIMINE BROMIDE3-[[(DIMETHYLAMINO)CARBONYL]OXY]-N,N,N-TRIMETHYLBENZAMINIUM BROMIDEGD-65ar-32sb-23Stiglyn
98IMH7M386Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, methyl sulfateCHEBI:7516DTXSID40199003PREVDUO COMPONENT NEOSTIGMINE METHYLSULFATERobinul-neostigStiglyn 1:500RefChem:55702

데이터베이스 식별자

CAS

물성

구조 계산 물성

극성 표면적
104 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
22
형식 전하
0
복잡도
337

실험 및 물리화학적 성질

Solubility>50.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Cholinesterase Inhibitors; Parasympathomimetics

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsFDA approved animal drugs -> Active ingredient

물리화학적 성질

녹는점
175 · 175-177 °C(lit.)
저장 조건
-20 °C · -20°C
용해도
2 O: · H2O: 1 g/mL
물리적 상태
가루
색상
하얀색
수용성
1 g/10mL · 1g/10mL
Merck
14 · 14,6464
InChI
InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
OSZNNLWOYWAHSS-UHFFFAOYSA-M
SMILES
C1(OC(=O)N(C)C)C=CC=C([N+](C)(C)C)C=1.S([O-])(=O)(=O)OC

화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H300 (43.4%): Fatal if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 99 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (43.4%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
rtecs
CY1225000
ridadr
UN 2811 6.1/PG 2
독성
LD50 in mice (mg/kg): 0.16 i.v.; 0.42 s.c.; 7.5 orally, (Randall, Lehmann)
HS 번호
29242990
risk_code
28-36/37/38-42/43-26/27/28
hazard_code
T+
safety_code
36-45-36/37/39-28A
포장분류
II
위험 등급
6.1(a)
기존화학 물질
KE-11136
Hazard Classifications
Acute Tox. 2 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

NEOSTIGMINE METHYLSULFATE

Cholinesterase Inhibitor [EPC]; Cholinesterase Inhibitors [MoA]

MeSH Pharmacological Classification · 2건

Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.

Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.

응용 분야 · 3건

개요Neostigmine is a reversible inhibitor of acetylcholinesterase (AChE; Kd = 260 μM). In a rat model of knee joint inflammation, intrathecal administration of neostigmine (2-30 μg) increases endogenous acetylcholine levels and dose-dependently increases the latency of paw withdrawal in response to thermal and mechanical stimuli (ED50s = 6.6 and 3.5 μg, respectively). Neostigmine (5 μg, i.p.) restores muscle action potentials in mice with a thymopoietin-induced neuromuscular block. Formulations containing neostigmine have been used in the treatment of myasthenia gravis and Ogilvie syndrome.

용도Cholinergic; miotic; antidote (curare)

일반 설명Neostigmine methylsulfate,(m-hydroxyphenyl)trimethylammonium methylsulfatedimethylcarbamate or the dimethylcarbamic ester of 3-hydroxyphenyltrimethylammoniummethylsulfate (Prostigminmethylsulfate), is a bitter, odorless, white, crystalline powder.It is very soluble in water and soluble in alcohol. Solutionsare stable and can be sterilized by boiling. The compound istoo hygroscopic for use in a solid form and thus is alwaysused as an injection. Aqueous solutions are neutral to litmus.

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
51-60-5
PubChem CID
5824
DTXSID
DTXSID40199003
ChEMBL
CHEMBL211471
ChEBI
CHEBI:7516
UNII
98IMH7M386
EC Number
200-109-5

Crystalline Solid

스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

상·하류 제품 정보

상류 원료

3-디메틸아미노페놀N,N-디메틸카바모일클로라이드브롬화 메틸디메틸설페이트3-디메틸아미노페닐디메틸카르바메이트3-아미노페닐N,N-디메틸카르바메이트,97

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