ドキシサイクリン水和物
ドキシサイクリン水和物 · (4S)-4β-(ジメチルアミノ)-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-3,5β,10,12,12aβ-ペンタヒドロキシ-6β-メチル-1,11-ジオキソ-2-ナフタセンカルボアミド·水和物 · ドキシサイクリン一水和物 · (4S)-4β-(ジメチルアミノ)-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-3,5β,10,12,12aβ-ペンタヒドロキシ-6β-メチル-1,11-ジオキソ-2-ナフタセンカルボアミド・水和物 · Doxycycline USP · DOXYCYCLINE HYDRATE · Power v1 · NSC-56228
識別子と物理属性
| CAS No. | 17086-28-1 |
|---|---|
| 分子式 | C22H26N2O9 |
| 平均分子量 | 462.4 g/mol |
| SMILES | C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O |
| InChIKey | XQTWDDCIUJNLTR-PGTYNCOMNA-N |
| PubChem CID | 54684461 |
| ChEMBL | CHEMBL1200699 |
| ChEBI | CHEBI:60648 |
| EC No. | 605-591-4 |
| DTXSID | DTXSID401045241 |
| 現地名 | ドキシサイクリン水和物 |
化学・物理的性質
| 極性表面積 | 183 |
|---|---|
| 水素結合供与体数 | 7 |
| 水素結合受容体数 | 10 |
| 回転可能結合数 | 2 |
| 重原子数 | 33 |
| 形式電荷 | 0 |
| 複雑度 | 956 |
| 医薬品 | Pharmaceuticals -> Antibiotics |
| 融点 | 167-168℃ |
| 貯蔵条件 | Sealed in dry,Store in freezer, under -20°C |
| 溶解度 | DMSO：可溶1mg/mLエタノールまたはメタノールに可溶。水にわずかに溶ける。希酸、アルカリ金属水酸化物、ジメチルスルホキシドに可溶。 |
| 外観・状態 | 粉末または結晶 |
| 色 | ライトイエロー |
| 主な用途 | 医薬品（低分子化合物） |
| InChIKey | XQTWDDCIUJNLTR-PGTYNCOMNA-N |
| SMILES | [C@@]12([H])[C@@H](O)[C@@]3([H])C(C(=O)C4C(O)=CC=CC=4[C@@H]3C)=C(O)[C@]1(O)C(=O)C(C(=O)N)=C(O)[C@H]2N(C)C.O |&1:0,2,4,16,20,30,r| |
| CAS データベース | 17086-28-1 |
化学的特性
Doxycycline monohydrate is a Yellow, crystalline powder. It is soluble in ethanol or methanol. It has a high degree of lipid solubility and a low affinity for calcium binding. It is highly stable in normal human serum. It is very slightly soluble in water.
安全性と法規制
| GHS 分類 | DangerH302 (43.2%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 148 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Hazard Traits - Developmental ToxicityDoxycycline monohydrate: Does not have an individual approval but may be used under an appropriate group standardInvertin: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (43.2%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29413000 |
| 危険文句（R） | 36/37/38-22-63 |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 26-36/37 |
| 危険等級 | Acute Tox. 4 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
Doxycycline is a broad-spectrum antibiotic synthetically derived from oxytetracycline. It is a semi-synthetic tetracycline. Doxycycline penetrates the bacterial cell and interferes with the protein biosynthesis, stopping the process. Other microorganisms are also sensitive to the antibiotic activity of Doxycycline, such as Mycoplasma, Chlamydia and Ricketsiae. Resistance to antibiotics of the tetracycline family is primarily due to inhibition of transport of the drug into the cell or by increasing antibiotic efflux. The biological mechanism is mainly through plasmid mediation but it may also occur by chromossomal alteration.
使用
Doxycycline Monohydrate is used to treat bacterial infections, Lyme disease, chlamydia, Rocky Mountain Spotted Fever, and other susceptible bacterial infections. It is an antibiotic with bacteriostatic properties.Tetracycline antibacterial.
一般的な説明
Doxycycline was synthesized by Pfizer starting with either tetracycline or oxytetracycline in 1958. It shows about fourfold higher antibacterial activity than tetracycline against a variety of pathogens. Doxycycline shows higher oral absorption than tetracycline, and its concentration in tissue is higher and maintained longer. Hyclate is a preparation of doxycycline containing one mole of hydrochloric acid and one-half mole each of ethanol and water per mole of doxycycline.