Invertin

HCID 54684461CAS 17086-28-1

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

InvertinRefChem:791116DOXYCYCLINE MONOHYDRATE17086-28-1Doxycycline hydrateOraceaAdoxaMonodoxSupracyclinDoxirobeDoxylinXyrosa
이름 더 보기
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

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

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

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.
화학적 성질 · 1건

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 · 4건

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 · 3건

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%)

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

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

DOXYCYCLINE MONOHYDRATE

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

응용 분야 · 3건

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

공급사50 곳

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]
추가 설명 · 1건

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.

관련 반응

3건

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