基本情報
- CAS
129496-10-2- 標準SMILES
CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H](/C1=N\O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N\O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2- InChIKey
LKMMLHTWKLEARD-MGZQXKBQSA-N- 分子式
- C63H88N2O14
- 平均分子量
- 1,097.4 g/mol
- 単同位体質量
- 1,096.62355549
概要
used for heartworm (Dirofilaria immitis) and mites in dogs
名称と識別子
- 優先名称
- Milbemycin, oxime
- IUPAC
- (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-24-hydroxy-21-hydroxyimino-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
- 英語名
- Milbemycin oxime
- 分子式
- 2C32H45NO7.2C31H43NO7
- 分子量
- 2194.78
名称と別名
Milbemycin oximeInterceptor flavor tabsMilbemiteMilbeGuardCGA-1792460502PUN0GTMilbemite Otic SolutionMILBEGUARD FLAVOREDTRIFEXIS COMPONENT MILBEMYCIN OXIMENEXGARD SPECTRA COMPONENT MILBEMYCIN OXIMERefChem:66538DTXCID40819951
名称をさらに表示
MilbeximeMibemycin oximeMilbemyein oximeMilbemycin oxime CRSβ-phenylacrylophenoneMilbemycin oxime 92~95%Milbemycin Oxime (200 mg)Milbemycin Oxime (1443806)
DTXSID501057491129496-10-2DTXSID4058495Milbemycin, oximeMilbemycin A, 5-oximeSentinel flavor tabsUNII-0502PUN0GTMilbemycin oxime (Standard)
データベース識別子
- CAS
129496-10-2
物性
構造計算による物性
- 極性表面積
- 214 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 16
- 回転可能結合数
- 1
- 重原子数
- 79
- 形式電荷
- 0
- 複雑度
- 2,260
実験および物理化学的性質
Animal DrugsFDA approved animal drugs -> Active ingredient
物理化学的性質
- 融点
- 169.6 · 169.6-177.4°
- 闪点
- 412 ℃ · 412℃
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 100 · DMSO:100.0(Max Conc. mg/mL);91.13(Max Conc. mM)
- 外見
- A crystalline solid
- 色
- White to off-white
- 安定性
- Hygroscopic
- 主な用途
- 医薬品（低分子化合物）
- InChIKey
- LKMMLHTWKLEARD-MGZQXKBQSA-N
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。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationMilbemycin oxime: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (92.7%)
安全データ
- wgk
- 3
- ridadr
- 2588
- 毒性
- LD50 orally in mice: 1000-1500 mg/kg (Ciba-Geigy)
- hs_code
- 2932206000
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
応用分野
使用Milbemycin oxime is a semi-synthetic macrocyclic lactone prepared by the oxidation and oximation of a mixture of two natural products, milbemycin A3 and A4 (in ~30:70 ratio). Milbemycin oxime is used therapeutically for the prevention of intestinal parasites in dogs. Like the other milbemycin/avermectins, it was developed for intestinal parasite control in animals and acts by opening glutamate sensitive chloride channels in neurons of invertebrates leading to paralysis by hyperpolarisation of these cells and signal transfer blocking.
上流・下流製品情報
上流原料
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州法姆医药科技有限公司
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