Invertin (HCID 54684461)

概要

Doxycycline Monohydrate (internal use) can cause developmental toxicity according to state or federal government labeling requirements.

名称と識別子

優先名称: Invertin
IUPAC: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate
現地名: ドキシサイクリン水和物
英語名: Doxycycline monohydrate
分子式: C22H26N2O9
分子量: 462.45

名称と別名

InvertinRefChem:791116DOXYCYCLINE MONOHYDRATE17086-28-1Doxycycline hydrateOraceaAdoxaMonodoxSupracyclinDoxirobeDoxylinXyrosa

名称をさらに表示

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 USPPower v1NSC-56228Strong v1Doxycyeline HCLoxycyclinemonohydrateDoxycycline Monohydrate (100 mg)Doxycycline monohydrate USP/EP/BP

VibramycinDoxycycline Hydrate (>90%)(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrateDoxycycline (monohydrate)MFCD02682958GS-3065(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrateDoxiciclina

データベース識別子

CAS: 17086-28-1、9001-57-4
PubChem CID: 54684461
DTXSID: DTXSID401045241
ChEMBL: CHEMBL1200699
ChEBI: CHEBI:60648
UNII: N12000U13O
EC Number: 605-591-4

物性

構造計算による物性

極性表面積: 183 Å²
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

実験および物理化学的性質

DrugsPharmaceuticals -> Antibiotics

物理化学的性質

融点: 167 · 167-168℃
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
溶解性: 1 mg/mL · DMSO：可溶1mg/mL
外見: 粉末または結晶
色: ライトイエロー
水溶解度: 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。
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 · 17086-28-1

化学的性質 · 1 件

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.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (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.

危険有害性情報

Regulatory Information · 3 件

Hazard Traits - Developmental Toxicity

Doxycycline monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Invertin: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (43.2%)

安全データ

wgk: 3
hs_code: 29413000
risk_code: 36/37/38-22-63
hazard_code: Xi,Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

DOXYCYCLINE MONOHYDRATE

Tetracycline-class Drug [EPC]; Tetracyclines [CS]

応用分野 · 3 件

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.

上流・下流製品情報

上流原料

アンモニア水ドキシシクリン·塩酸塩

サプライヤー50 社

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

補足説明 · 1 件

定義ChEBI: The monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary isease (COPD), and adult periodontitis.

ドキシサイクリン水和物

基本情報

概要