기본 정보
- CAS
5152-30-7- 표준 SMILES
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3- InChIKey
JFXBEKISTKFVAB-AJQTZOPKSA-N- 분자식
- C40H48N2O6+2
- 평균 분자량
- 652.8 g/mol
- 단동위원소 질량
- 652.35123726
개요
Metocurine is a member of isoquinolines.
이름 및 식별자
- 우선 이름
- Metocurine
- IUPAC
- (1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene
- 현지명
- 메토쿠린
- 영어명
- metocurine
- 분자식
- C40H48N2O6+2
- 분자량
- 652.81892
이름 및 동의어
METOCURINEDimethyltubocurarinium5152-30-7Metocurine ionMetocurine cationDimethyl tubocurarinedimethylchondrocurarineV0M92G2U26Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-DTXSID004826213H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, (13aR,25aS)-dimethylcurine
이름 더 보기
메토쿠린Chondocurarine, derivative of6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium(+)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo(22.6.2.2^(3,6).1^(8,12).1^(18,22).0^(27,31).0^(16,34))hexatriaconta-3,5,8,10,12(34),18(33),19,21,24(32),25,27(31),35-dodecaene-15,30-diium(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{18,22}.0^{27,31}.0^{16,34}]hexatriaconta-3,5,8,10,12(34),18(33),19,21,24(32),25,27(31),35-dodecaene-15,30-diiumDMCDMRefChem:158378metocurine dichloride(1alpha)-DTXCID1028237O,O-DimethylchondrocurarineCHEBI:6900
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 48
- 형식 전하
- 2
- 복잡도
- 1,060
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility6.42e-06 g/L
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 678.86 °C · 678.86°C (rough estimate)
- 밀도
- 1.1209 · 1.1209 (rough estimate)
- 굴절률
- 1.467 · 1.4670 (estimate)
화학 및 산업
약리 정보
Mechanism of Action
Metocurine antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.
MeSH Pharmacological Classification
Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.
Cellular LocationsMembrane
응용 분야
용도Metocurine is used for the same indications as tubocurarine. A synonym of this drug is metubine.
공급사1 곳
SPECS[email protected]
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