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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Hetacillin potassium , Penicillin-binding protein inhibitor, CAS No.26939-80-0, Penicillin-binding protein inhibitor
Synonyms
HETACILLIN POTASSIUM | HETACILLIN POTASSIUM [GREEN BOOK] | 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolinyl)-3,3-dimethyl-7-oxo-, monopotassium salt | EINECS 226-182-3 | potassium 6beta-[(4R)-2,2-dimethyl-5-
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このグレードを選ぶ理由 ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
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保管・配送 Room temperature に出荷。正確な仕様については、ロット固有の COA をご確認ください。
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品質書類 SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
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文献的裏付け クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
仕様 同義語
HETACILLIN POTASSIUM | HETACILLIN POTASSIUM [GREEN BOOK] | 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolinyl)-3,3-dimethyl-7-oxo-, monopotassium salt | EINECS 226-182-3 | potassium 6beta-[(4R)-2,2-dimethyl-5-
作用メカニズム
Penicillin-binding protein inhibitor
名前と識別子 カノニカル・スマイル
CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]
IUPAC Name
potassium;(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKey
QRSPJBLLJXVPDD-XFAPPKAWSA-M
INCHI
1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
異性体SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5403821&ln=
ドキュメント ✅ 分析証明書（COA） ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。
COA を検索 →
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 分類 Lactams Subclass Beta lactams Intermediate Tree Nodes Penams Direct Parent Penicillins Alternative Parents Phenylimidazolidines Alpha amino acids and derivatives Imidazolidinones Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic potassium salts Organic zwitterions Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Penicillin - Phenylimidazolidine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Thioether - Organic alkali metal salt - Azacycle - Secondary amine - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic salt - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic zwitterion - Organic potassium salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. External Descriptors organic potassium salt Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 分子量 427.600 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 427.097 Da Monoisotopic Mass 427.097 Da Topological Polar Surface Area 118.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 695.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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