홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

Benzenaminium, 3,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-

HCID 5966
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
16505-84-3
표준 SMILES
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1
InChIKey
RWZVPVOZTJJMNU-UHFFFAOYSA-N
분자식
C32H52N4O4+2
평균 분자량
556.8 g/mol
단동위원소 질량
556.39885615

개요

Demarcarium is the bis(quaternary ammonium) dication obtained by N,N'-dimethylation of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. It is a carbamate ester and a quaternary ammonium ion.

이름 및 식별자

우선 이름
Benzenaminium, 3,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-
IUPAC
trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium
영어명
demarcarium
분자식
C32H52N4O4
분자량
556.77968

이름 및 동의어

DemecariumDemecarium ionDemecarium cation16505-84-3ILP8XJ8R5KBenzenaminium, 3,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethyl-DTXSID2046965(m-Hydroxyphenyl)trimethylammonium decamethylenebis(methylcarbamate)N,N'-Bis(3-trimethylammoniumphenoxycarbonyl(-N,N'-dimethyldecamethylenediamine3,3'-(1,10-Decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethylbenzenaminium)Benzenaminium, 3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-N,N,N-trimethyl-3-((methyl(10-(methyl(3-(trimethylazaniumyl)phenoxycarbonyl)amino)decyl)carbamoyl)oxy)anilinium
이름 더 보기
demarcariumDemecarium Free Basetrimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium
N,N,N-trimethyl-3-{[methyl(10-{methyl[3-(trimethylazaniumyl)phenoxycarbonyl]amino}decyl)carbamoyl]oxy}aniliniumRefChem:57372DTXCID5014745263,3'-(1,10-decanediylbis((methylimino)carbonyloxy))bis(N,N,N-trimethylbenzenaminium)-Benzenaminium, 3,3'-(1,10-Decanediylbis((Methylimino)Carbonyloxy))Bis(N,N,N-Trimethyl)-N,N'-Bis(3-Trimethylammoniumphenoxycarbonyl)-N,N'-DimethyldecamethylenediamineDemecarium [VANDF]Demecarium [WHO-DD]

물성

구조 계산 물성

XLogP
6.6
극성 표면적
59.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
17
무거운 원자 수
40
형식 전하
2
복잡도
686

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.75
Solubility1.69e-05 g/L
Melting Point164-170
Physical DescriptionSolid

화학 및 산업

약리 정보

ATC Code · 2건

S - Sensory organs

QS - Sensory organs

Pharmacodynamics · 1건

Demecarium is a long-acting cholinesterase inhibitor and potent miotic. Because of its toxicity, it should be reserved for use in patients with open-angle glaucoma or other chronic glaucomas not satisfactorily controlled with the short-acting miotics and other agents. Application of demecarium to the eye produces intense miosis and ciliary muscle contraction due to inhibition of cholinesterase, allowing acetylcholine to accumulate at sites of cholinergic transmission. These effects are accompanied by increased capillary permeability of the ciliary body and iris, increased permeability of the blood-aqueous barrier, and vasodilation. Myopia may be induced or, if present, may be augmented by the increased refractive power of the lens that results from the accommodative effect of the drug.

Mechanism of Action · 1건

Demecarium is an indirect-acting parasympathomimetic agent, also known as a cholinesterase inhibitor and anticholinesterase. Cholinesterase inhibitors prolong the effect of acetylcholine, which is released at the neuroeffector junction of parasympathetic postganglion nerves, by inactivating the cholinesterases that break it down. Demecarium inactivates both pseudocholinesterase and acetylcholinesterase. In the eye, this causes constriction of the iris sphincter muscle (causing miosis) and the ciliary muscle (affecting the accommodation reflex and causing a spasm of the focus to near vision). The outflow of the aqueous humor is facilitated, which leads to a reduction in intraocular pressure. Of the two actions, the effect on the accommodation reflex is the more transient and generally disappears before termination of the miosis.

MeSH Pharmacological Classification · 1건

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.

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
16505-84-3、56-94-0
PubChem CID
5966
DTXSID
DTXSID2046965
ChEMBL
CHEMBL1201229
ChEBI
CHEBI:59719
UNII
ILP8XJ8R5K
Nikkaji
J82.023G
Cellular LocationsCytoplasm

공급사2 곳

上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]