기본 정보
- CAS
55-97-0- 표준 SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]- InChIKey
FAPSXSAPXXJTOU-UHFFFAOYSA-L- 분자식
- C12H30Br2N2
- 평균 분자량
- 362.19 g/mol
- 단동위원소 질량
- 360.07757
개요
See also: Hexamethonium (has active moiety); Hexamethonium Chloride (related); Hexamethonium Iodide (related).
이름 및 식별자
- 우선 이름
- Hexamethonium Bromide
- IUPAC
- trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
- 현지명
- N,N'-헥사메틸렌비스(트라이메틸암모늄)
- 영어명
- HEXAMETHONIUM BROMIDE
- 분자식
- C12H30Br2N2
- 분자량
- 362.19
이름 및 동의어
HEXAMETHONIUM BROMIDE55-97-0Bistrium bromideBromuro de hexametonioBromure d'hexamethoniumEsametonio bromuroHexamethonii bromidum1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromideHEXAMETHONE BROMIDE8J77X3S603NSC-163965alpha, omega-Bis(trimethyl ammonium)hexane dibromide
이름 더 보기
N,N'-헥사메틸렌비스(트라이메틸암모늄)N,N'-헥사메틸렌비스(트라이메틸암모늄)염류(예:헥사메토늄브로마이드)헥사메토늄브로마이드HEXAMETHONIUM DIBROMIDEN1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium bromidehexametonvegolysenvegolysinesametinagangliostatMethobrominesimpatoblockhexoniumdibromide
DTXSID50883229NSC163965Bromide, HexamethoniumhexamAthonium (cation)RefChem:786199DTXCID801022778benzohexonium (for the benzosulfonate)200-249-7
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 285 °C · ~285 °C (dec.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 물(약간 용해됨)
- 물리적 상태
- 결정성 분말 및 응집체
- 색상
- 하얀색
- 수소이온지수(pH)
- pH (20g/l, 25℃) : 4.5～6.5
- 수용성
- 2 O: · H2O: 100mg/mL
- Merck
- 14 · 14,4688
- BRN
- 3715749 · 3715749
- InChI
- InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
- InChIKey
- FAPSXSAPXXJTOU-UHFFFAOYSA-L
- SMILES
- C(CCCCC[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
- EPA
- 1 · 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2) (55-97-0)
화학적 성질
White crystalline powder and agglomerates
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.
Danger
H370 (11.1%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P321, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Hexamethonium bromide (EC: 200-249-7)
Hazard Classes and CategoriesSTOT SE 1 (11.1%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BQ8575000
- HS 번호
- 29239000
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery.
Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2): ACTIVE
응용 분야
개요Hexamethonium is a peripherally-acting nondepolarizing neuromuscular blocking agent that acts as an antagonist of nicotinic acetylcholine receptors (nAChRs). It decreases acetylcholine release induced by carbamoylcholine in isolated cat superior cervical ganglion when used at concentrations of 27.4 and 54.8 μg/ml. It also decreases mean arterial pressure in unanesthetized rats when administered at a dose of 40 mg/kg. Intraventricular administration of hexamethonium (18 ng, i.c.v.) induces signs of nicotine abstinence, including shaking, writhing, and chewing in nicotine-dependent rats. Formulations containing hexamethonium were previously used in the treatment of hypertension.
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