메트론이드아졸

메트로니다졸 · 메트론이드아졸 · Metronidazol · Metronidazole Base · 2-METHYL-5-NITROIMIDAZOLE-1-ETHANOL · MNZ · etronidazole · METRONIDAZOLE BP

https://huagongshe.com/ko/chemical/4173

식별자 및 물리적 특성

CAS No.	443-48-1
분자식	C6H9N3O3
평균 분자량	171.15 g/mol
단동위원소 질량	171.06439115 g/mol
SMILES	Cc1ncc([N+](=O)[O-])n1CCO
InChIKey	VAOCPAMSLUNLGC-UHFFFAOYSA-N
PubChem CID	4173
ChEMBL	CHEMBL137
ChEBI	CHEBI:6909
EC No.	207-136-1
DTXSID	DTXSID2020892
현지명	메트론이드아졸

화학 및 물리적 성질

XLogP	0
극성 표면적	83.9
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	170
의약품	PharmaceuticalsPharmaceuticals -> Antibiotics (Nitroimidazole)Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Antibiotics
pH	pH of saturated aq soln is 5.8
LogP(분배 계수)	log Kow = -0.02-0.1
냄새	ODORLESS
Color/Form	Cream-colored crystalsWHITE TO PALE YELLOW CRYSTALS OR CRYSTALLINE POWDER
용해도	less than 1 mg/mL at 68 °F (NTP, 1992)g/100 ml at 20 °C: 1.0 in water, 0.5 in ethanol, less than 0.05 in ether, chloroformsol in dilute acidssparingly sol in dimethylformamideIn water, 11,000 mg/L at 25 °C5.92e+00 g/L>25.7 [ug/mL] (The mean of the results at pH 7.4)아세트산: 0.1 M, 투명하고 희미한 노란색
Human Drugs	Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsAntiprotozoal AgentsNitroimidazolesFDA approved drugs -> Active ingredientAccess group antibiotics
Animal Drugs	Active Ingredients (Metronidazole) -> FDA GreenbookPharmaceuticals -> Animal Drugs -> Approved in TaiwanPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	316 to 320 °F (NTP, 1992)158-160 °C159-161 °C (lit.)
Physical Description	Metronidazole is a white to pale-yellow crystalline powder with a slight odor. Bitter and saline taste. pH (saturated aqueous solution) about 6.5. (NTP, 1992)Solid
Stability/Shelf Life	Stable in air but darkens on exposure to light.Metronidazole conventional tablets should be stored in well-closed, light-resistant containers at less than 25 °C. Metronidazole capsules should be stored in tight containers at 15-25 °C. Metronidazole extended-release tablets should be stored in well-closed containers at approximately 25 °Ctemporary exposure to temperatures of 15-30 °C is acceptable.Metronidazole hydrochloride powder for injection should be protected from light and stored at less than 30 °C. Metronidazole injection should be protected from light and freezing and stored at 15-30 °C. The manufacturer (Baxter) of commercially available metronidazole injection ... states that this injection has an expiration date of 24 months following the date of manufacture.
끓는 점	301.12°C (rough estimate)
밀도	1.3994 (rough estimate)
굴절률	1.5800 (estimate)
인화점	9℃
저장 조건	2-8°C
물리적 상태	수정 같은
pKa(산도 계수)	pKa 2.62(H2O,t =25±0.2,Iundefined) (Uncertain)
색상	흰색에서 밝은 노란색
용해도	20°C에서 <0.1g/100mL
Merck	14,6157
BRN	611683
헨리 상수	5.8×105 mol/(m3Pa) at 25℃, HSDB (2015)
BCS Class	1,3
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용	임상 시험
InChI	1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey	VAOCPAMSLUNLGC-UHFFFAOYSA-N
SMILES	CC1=NC=C([N+]([O-])=O)N1CCO
LogP(분배 계수)	-0.02
NIST	Metronidazole(443-48-1)
EPA	Metronidazole (443-48-1)

화학적 성질

Metronidazole is an odorless, white, yellow, or cream-colored crystalline solid. Darkens on exposure to light. Bitter, salty taste (do not test). Soluble in hot water, slightly soluble in ethanol, slightly soluble in water or chloroform, very slightly soluble in ether.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.1% (2 of 177) of reports.DangerH302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 177 reports by companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Hazard Traits - CarcinogenicityStatus: Active Update: 12-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22643Metronidazole: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-: Human health tier I assessment
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this chemical may include nerve or sheath structural changes, eye changes, tremors, fever, jaundice and other liver changes. It may cause convulsive seizures, numbness, nausea, vomiting, abdominal discomfort, diarrhea, sharp, unpleasant metallic taste, erythematous rash, pruritus, dizziness, syncope, ataxia, thrombophlebitis after intravenous infusion, darkened urine, anorexia, epigastric distress, constipation, glossitis, stomatitis, reversible thrombocytopenia and vertigo. Flattening of the T-wave may be seen in electrocardiographic tracings. It may also cause incoordination, irritability, depression, weakness, insomnia, nasal congestion dysuria, cystitus, polyuria, incontinence, a sense of pelvic pressure, dyspareunia, decrease of libido, proctitis and fleeting joint pains sometimes resembling serum sickness. It may cause skin rash and drowsiness. Other symptoms of exposure include malaise, transient rashes, gastrointestinal disturbances and peripheral neuropathy. It may cause coated tongue, dry mouth, urethral discomfort, temporary leukopenia, increase in chromosome aberrations, candidal vaginitis, lethargy and sore furred tongue. In conjunction with alcohol it may provoke a disulfuram-like reaction. Pregnant women expose to this compound have given birth to premature, stillborn infants. One infant has died of white asphyxia. It may cause epigastric distress, abdominal cramping, numbness or paresthesia of an extremity, urticaria, flushing, dryness of vagina or vulva, abdominal distress, headache (if ingested with alcohol), confusional and psychotic states, blood dyscrasias, temporary neutropenia which reverses after therapy, and low concentrations of lipids in plasma.

용도

구두 혐기성 세균 감염의 예방 그리고 처리에서 널리 이용되는.

개요

Metronidazole is a nitroimidazole antibiotic first isolated in the 1950s. Many nitroimidazoles were being studied at the time, as the class was found to have trichomonacidal properties. Metronidazole was of particular interest due to its high activity against Trichomonas vaginalis and Entamoeba histolytica both in vitro and in vivo as well as clinical activity against many anaerobic pathogens including Gram-positive and Gramnegative bacteria and Giardia lamblia. Metronidazole is often used clinically for intra-abdominal infections and is the firstline treatment for Clostridium difficile–associated diarrhea.

용도

Metronidazole is the drug of choice for amebiases, vaginal trichomonasis and trichlomonadic urethritis in men, lambliosis, amebic dysentery, and anaerobic infections caused by microorganisms that are sensitive to the drug. Synonyms of this drug are flagyl, protostat, trichopol, and vagimid.

일반 설명

White to pale-yellow crystalline powder with a slight odor. Bitter and saline taste. pH (saturated aqueous solution) about 6.5.