基本情報
- CAS
551-27-9- 標準SMILES
CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O- InChIKey
HOCWPKXKMNXINF-XQERAMJGSA-N- 分子式
- C18H22N2O5S
- 平均分子量
- 378.4 g/mol
- 単同位体質量
- 378.12494298
概要
Propicillin is a penicillin. It is a conjugate acid of a propicillin(1-).
名称と識別子
- 優先名称
- Propicillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 現地名
- プロピシリン
- 英語名
- PROPICILLIN
- 分子式
- C18H22N2O5S
- 分子量
- 378.44
名称と別名
Propicillinpropicilline551-27-9PropicilinaPropicillinum(1-Phenoxypropyl)penicillinDTXSID3046291phenoxypropylpenicillinCHEBI:524298X1R260V33DTXCID10262916beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid
名称をさらに表示
(6R)-6-[(1-オキソ-2-フェノキシブチル)アミノ]ペニシラン酸プロピシリン(2S,5β)-3,3-ジメチル-7-オキソ-6α-[(1-オキソ-2-フェノキシブチル)アミノ]-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸PROPICILLIN USP/EP/BPα-phenoxypropylpenicillin3,3-dimethyl-7-oxo-6-[2-(phenoxy)butanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid7-keto-3,3-dimethyl-6-[2-(phenoxy)butanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5β)-3,3-Dimethyl-7-oxo-6α-[(1-oxo-2-phenoxybutyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxybutyl)amino]-, (2S,5R,6R)-
PropibayRefChem:176404ALPHA-PHENOXYPROPYLPENICILLIN208-995-5(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.alpha.-phenoxypropylpenicillin(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 121 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 590
実験および物理化学的性質
DrugsPharmaceuticals -> Antibiotics
Human DrugsPharmaceuticals
物理化学的性質
- 酸解離定数(Pka)
- 2.72 · pKa 2.72±0.04(H2O t=25 c=0.01) (Uncertain)
化学と産業
薬理情報
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >500
Use ClassificationPharmaceuticals
応用分野
説明Propicillin was synthesized by a collaboration of Beecham Research Laboratories with Bristol-Myers Laboratories in 1961 starting with 6-aminopenicillanic acid. It is stable against gastric acid and shows three- to fourfold higher serum concentrations than phenoxymethyl-penicillin when administered orally. Its antibacterial spectrum and activity are almost the same as those of phenoxymethylpenicillin. Propicillin has been used for therapy of infections caused by Streptococcus, Staphylococcus, and Neisseria.
使用Propicillin, is a derivative of penicillin. Properties are similar to benzylpenicillin particularly used in streptococcal infections, not resistant to penicillinase.
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