基本情報
- CAS
55482-89-8- 標準SMILES
COc1ccccc1OC(=O)c1ccccc1OC(C)=O- InChIKey
HSJFYRYGGKLQBT-UHFFFAOYSA-N- 分子式
- C16H14O5
- 平均分子量
- 286.28 g/mol
- 単同位体質量
- 286.08412354
概要
Guacetisal is a carbonyl compound.
名称と識別子
- 優先名称
- Guacetisal
- IUPAC
- (2-methoxyphenyl) 2-acetyloxybenzoate
- 現地名
- グアセチサル
- 英語名
- guacetisal
- 分子式
- C16H14O5
- 分子量
- 286.28
名称と別名
Guacetisal55482-89-8GuacetisalumAspirin guaiacol esterProntomucilT6EKB9V2O2Benzoic acid, 2-(acetyloxy)-, 2-methoxyphenyl ester2-methoxyphenyl 2-(acetyloxy)benzoateDTXSID40204060guaiacol acetylsalicylateASA-Gacetylsalicylic acid guaiacolic ester
名称をさらに表示
2-アセトキシ安息香酸2-メトキシフェニル2-アセチルオキシベンゼンカルボン酸2-メトキシフェニルグアセチサルグアセチサール2-メトキシフェニル 2-(アセチルオキシ)ベンゾアートuacetisalGuaiaspirGuaiacol esterGuacetisal (Aspirin)guacetisal USP/EP/BPGuacetisal, 10 mM in DMSOGuaiacol O-acetylsalicylate
guaiacolic ester, acetylsalicylic acidRefChem:1445832-(acetyloxy)benzoic acid, 2-methoxyphenyl esterDTXCID40126551N02BA14259-663-12-methoxyphenyl 2-acetoxybenzoateBroncaspin
データベース識別子
- CAS
55482-89-8- PubChem CID
- 68749
- DTXSID
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 61.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 368
物理化学的性質
- 融点
- 71 · 71-73 °C(Solv: ethanol (64-17-5))
- 沸点
- 463.8 · 463.8±30.0 °C(Predicted)
- 比重(密度)
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Soluble in DMSO
- 外見
- Solid
- 色
- White to off-white
- InChI
- InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
- InChIKey
- HSJFYRYGGKLQBT-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1OC)(=O)C1=CC=CC=C1OC(C)=O
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.
Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
上流・下流製品情報
上流原料
サプライヤー34 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
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湖北金梭生物科技有限公司00123456789 · [email protected]
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