Toxiferine
基本情報
- CAS
302-30-7- 標準SMILES
C[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69- InChIKey
IIYHWTVUYIYKKG-QQRSFBQTSA-N- 分子式
- C40H46N4O2+2
- 平均分子量
- 614.8 g/mol
- 単同位体質量
- 614.36207672
概要
Toxiferine I is an alkaloid.
名称と識別子
- 優先名称
- Toxiferine
- IUPAC
- (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol
名称と別名
TOXIFERINE9M7D9K3OJIDTXSID30897243RefChem:933214DTXCID501326628(1S,9Z,11S,13S,25Z,27S,28E,33S,35S,37E,38S)-28,37-bis(2-hydroxyethylidene)-14,30-dimethyl-8,14,24,30-tetraazaundecacyclo(25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.030,33.024,35.026,38)octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium dichloride302-30-7Toxiferine I, 2,2',16,16'-tetradehydro-16,16',17,17'-tetrahydro-(2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanolC-Toxiferine IUNII-9M7D9K3OJICHEBI:9644
名称をさらに表示
SCHEMBL3132546CHEMBL1184078NS00075430C09246Q392418[1S,3aS,9(9a)Z,10S,11aS,12S,14aS,19aS,20(20a)Z,20bS,21S,22aS,23E,26E]-23,26-Bis(2-hydroxyethylidene)-1,12-dimethyl-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 46.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 46
- 形式電荷
- 2
- 複雑度
- 1,390
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
TreatmentThe antidote for curare poisoning is an acetylcholinesterase inhibitor (anti-cholinesterase), such as physostigmine or neostigmine. (L1256)
Health EffectsCurare is a muscle relaxant that can lead to death from asphyxiation, as the respiratory muscles are unable to contract. (L1256)
Exposure RoutesInjection (sting/bite) (L1256)
Toxicity SummaryCurare is a non-depolarizing muscle relaxant that acts as a competitive antagonist at the nicotinic acetylcholine receptors. (L1256)
Signs and SymptomsCurare is a muscle relaxant and thus causes paraylsis. (L1256)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
薬理情報
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.
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.
用途と製造
Uses
Toxiferine is a type of curare, a plant toxin known for its use as paralyzing arrow poison by South American indigenous people. It can be extracted from a variety of plants, including Strychnos toxifera and Chondrodendron tomentosum. (L1256)
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