기본 정보
- CAS
114-80-7- 표준 SMILES
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]- InChIKey
LULNWZDBKTWDGK-UHFFFAOYSA-M- 분자식
- C12H19BrN2O2
- 평균 분자량
- 303.2 g/mol
- 단동위원소 질량
- 302.06299
개요
Neostigmine bromide is the bromide salt of neostigmine. It contains a neostigmine.
이름 및 식별자
- 우선 이름
- Neostigmine Bromide
- IUPAC
- [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
- 현지명
- 네오스티그민 브로마이드
- 영어명
- Neostigmine bromide
- 분자식
- C12H19BrN2O2
- 분자량
- 303.2
이름 및 동의어
neostigmine bromide114-80-7Neoserine bromideKirkstigmine bromideEustigmin bromideVagostigminLeostigmine bromideneo-ProserinSyntostigmin bromideProserine bromideStigmanol bromideSynstigmin bromide
이름 더 보기
네오스티그민브로마이드네오스티그민및그염류(예:네오스티그민브로마이드)네오스티그민 브로미드ProstigmiNeostigminNeoesserinprostigminNeoserine)JuvastigminPROSTIGMINEstigmosanbromidestigmanolbromideeustigminbromide
Neostigmini bromidumPhilostigmin bromideNeo proserineBromure de neostigmineBromuro de neostigminaNeostigmine methyl bromideNeoproserineDTXSID9041075
데이터베이스 식별자
- CAS
114-80-7- PubChem CID
- 8246
- DTXSID
DTXSID9041075
물성
구조 계산 물성
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
Solubility>45.5 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section153.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 175 · 175-177 °C(lit.)
- 밀도
- 1.4344 · 1.4344 (rough estimate)
- 굴절률
- 1.541 · 1.5410 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O: · H2O: 1 g/mL
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수소이온지수(pH)
- 5.2 · 5.2~6.2 (100g/l, 25℃)
- 수용성
- 1 g/mL · 1g/mL
- Merck
- 14 · 14,6464
- BCS Class
- 3 · 3
- InChI
- 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
- InChIKey
- LULNWZDBKTWDGK-UHFFFAOYSA-M
- SMILES
- [Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (95.1%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (95.1%)
안전 데이터
- wgk
- 3
- rtecs
- BR3150000
- ridadr
- UN 2811 6.1/PG 2
- HS 번호
- 29239000
- risk_code
- 26/27/28-36/37/38-42/43-25
- hazard_code
- T+,T
- safety_code
- 22-26-36/37/39-45-37/39-28A
- 포장분류
- II
- 위험 등급
- 6.1(a)
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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
용도Neostigmine bromide has been used as an acetyl cholinesterase (AChE) inhibitor: to control reaction specificity of acetylcholinesterase in coronal organ of Botryllus schlosseri.to study its effects on abnormal contraction of pyloric circular smooth muscle strips (PCSMS).to study its effects on depolarization of bag cell neurons.
일반 설명Neostigmine bromide, (m-hydroxyphenyl)trimethylammonium bromide dimethylcarbamateor the dimethylcarbamic ester of 3-hydroxyphenyltrimethylammoniumbromide (Prostigmin bromide), is usedas an antidote to nondepolarizing neuromuscular blockingdrugs and in the treatment of myasthenia gravis. It occurs asa bitter, odorless, white, crystalline powder. It is soluble inwater and alcohol. The crystals are much less hygroscopicthan those of neostigmine methylsulfate and thus may beused in tablets. Solutions are stable and may be sterilized byboiling. Aqueous solutions are neutral to litmus.
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