기본 정보
- 표준 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- 분자식
- C22H26N2O9
- 평균 분자량
- 462.4 g/mol
개요
Doxycycline Monohydrate (internal use) can cause developmental toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- 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
- 영어명
- Doxycycline monohydrate
- 분자식
- C22H26N2O9
- 분자량
- 462.45
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
17086-28-1、9001-57-4- PubChem CID
- 54684461
- DTXSID
DTXSID401045241- ChEMBL
CHEMBL1200699- ChEBI
CHEBI:60648- UNII
- N12000U13O
- EC Number
- 605-591-4
물성
구조 계산 물성
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 956
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 167 · 167-168℃
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 1 mg/mL · DMSO: 용해성1mg/mL
- 물리적 상태
- 분말 또는 결정
- 색상
- 연노랑
- 수용성
- 에탄올이나 메탄올에 용해됩니다. 물에 거의 용해되지 않습니다. 묽은 산, 알칼리 수산화물 및 디메틸 설폭사이드에 용해됩니다.
- 주요 응용
- 의약품(소분자)
- 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|
화학적 성질
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.
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
안전 데이터
- wgk
- 3
- HS 번호
- 29413000
- risk_code
- 36/37/38-22-63
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
DOXYCYCLINE MONOHYDRATE
Tetracycline-class Drug [EPC]; Tetracyclines [CS]
응용 분야
개요Doxycycline 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.
용도Doxycycline 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.
일반 설명Doxycycline 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.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: 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.
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