基本情報
- CAS
99-43-4- 標準SMILES
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N- InChIKey
CMHHMUWAYWTMGS-UHFFFAOYSA-N- 分子式
- C17H28N2O3
- 平均分子量
- 308.4 g/mol
- 単同位体質量
- 308.20999276
概要
Oxybuprocaine is a benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology. It has a role as a local anaesthetic, a topical anaesthetic and a drug allergen. It is a benzoate ester, an amino-acid ester, a substituted aniline and a tertiary amino compound. It is functionally related to a 2-diethylaminoethanol.
名称と識別子
- 優先名称
- Oxybuprocaine
- IUPAC
- 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
- 現地名
- オキシブプロカイン
- 英語名
- Oxybuprocaine
- 分子式
- C17H28N2O3
- 分子量
- 308.42
名称と別名
OxybuprocaineBenoxinate99-43-4Oxybucaine2-(Diethylamino)ethyl 4-amino-3-butoxybenzoateOxibuprokainOxyriprocaineConjucainDorsacainOxibuprocainaOxybuprocainumButoxyaminobenzoyldiethylaminoethanol
名称をさらに表示
4-アミノ-3-ブトキシ安息香酸2-(ジエチルアミノ)エチル2-(ジエチルアミノ)エチル=4-アミノ-3-ブトキシベンゾアートオキシブプロカイン4-アミノ-3-ブトキシ安息香酸2-ジエチルアミノエチルベノキシナート2-(ジエチルアミノ)エチル 4-アミノ-3-ブトキシベンゾアートBNXS-749FluressNovescineButoxyprocaineOxybuprocaine USP/EP/BP2-Diethylaminoethyl 4-amino-3-butoxybenzoate2-(Diethylamino)ethyl 4-amino-3-N-butoxybenzoate
Monofree oxybuprocaineBENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylesterCHEBI:309594AXQ0JYM3034-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl esterDTXSID7048530
データベース識別子
- CAS
99-43-4- PubChem CID
- 4633
- DTXSID
DTXSID7048530- ChEMBL
CHEMBL1200- ChEBI
CHEBI:309594- UNII
- AXQ0JYM303
- Nikkaji
- J4.969G
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 64.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 11
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 308
実験および物理化学的性質
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
LogP3.1
Solubility
Very soluble (hydrochloride salt)
5.44e-01 g/L
42.7 [ug/mL] (The mean of the results at pH 7.4)
Human DrugsPharmaceuticals
Melting Point216.5 °C
Physical DescriptionSolid
物理化学的性質
- 沸点
- 2 · bp2 215-218°
- 比重(密度)
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- Methanol (Slightly)
- 酸解離定数(Pka)
- 9.16 · 9.16±0.25(Predicted)
- 外見
- Oil
- 色
- Clear Pale Yellow
- NISTの化学物質情報
- Benoxinate(99-43-4)
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。
安全データ
- 注意喚起語
- 警告
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
薬理情報
ATC Code
S01HA02
S - Sensory organs
D - Dermatologicals
QS - Sensory organs
QD - Dermatologicals
PharmacodynamicsOxybuprocaine is a local anaesthetic. It may be less irritating than tetracaine, and the onset and duration of action are similar to tetracaine.
Mechanism of Action
Oxybuprocaine binds to sodium channel and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions. Depolarization of the neuronal membrane is inhibited thereby blocking the initiation and conduction of nerve impulses.
MeSH Pharmacological Classification
Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.
Cellular LocationsCytoplasm
Metabolite PathwaysOxybuprocaine Action Pathway
用途と製造
UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals
応用分野
使用Anesthetic (topical).
上流・下流製品情報
上流原料
サプライヤー23 社
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
浙江海强化工有限公司0571-86050367 0571-86960370 0571-86050387 · [email protected]
Nantong Guangyuan Chemicl Co,Ltd+86-17331189928 · [email protected]
广州阿斯利康医药有限公司17074820606 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
重庆卡兰医药有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Wuhan Han Sheng New Material Technology Co.，Ltd+86-17798174412 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
广州市一方医药有限公司13545625683 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
補足説明
定義ChEBI: A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology.
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