기본 정보
- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O.O.O- InChIKey
MQXQVCLAUDMCEF-CWLIKTDRSA-N- 분자식
- C16H25N3O8S
- 평균 분자량
- 419.5 g/mol
- 단동위원소 질량
- 419.13623576
개요
Amoxicillin trihydrate is a hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections. It has a role as an antimicrobial agent and an antibacterial drug. It contains an amoxicillin.
이름 및 식별자
- 우선 이름
- Amoxicillin Trihydrate
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
- 영어명
- Amoxicillin trihydrate
- 분자식
- C16H21N3O6S
- 분자량
- 383.42
이름 및 동의어
Amoxicillin trihydrate61336-70-7AmoxipenMoxalineZimoxAmoxicillin hydrateCHEBI:51254Amoxi-DoserAmoxi-BolAmoxi-SolRobamox-VRobamox-V Tablets
이름 더 보기
AMOXYCILLIN TRIHYDRATEAMOXICILIN TRIHYDRATEAmoxiciLAmoxicillineTrihydrateAMOXICILLIN TRIHYDRATE IPAmoxicillin trihydrate for performance verification CRSAm 7A-GramArdine
Biomox, Robamox-VAmoxi-Inject (Cattle)RefChem:54179Amoxi-Drop Oral SuspensionBiomox, Robamox-V TabletsAmoxi-Inject (Dogs and Cats)(2S,5R,6R)-6-((2R)-2-Amino-2-(4-hydroxyphenyl)acetylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid trihydrateAmodex
데이터베이스 식별자
- CAS
61336-70-7- PubChem CID
- 62883
- DTXSID
DTXSID2022599- ChEBI
CHEBI:51254- UNII
- 804826J2HU
- EC Number
- 612-127-4、688-488-7、933-899-1
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 590
실험 및 물리화학적 성질
Animal Drugs
Active Ingredients (Amoxicillin Trihydrate) -> FDA Greenbook
Pharmaceuticals -> UK Veterinary Medicines Directorate List
물리화학적 성질
- 녹는점
- 200 °C · >200°C (dec.)
- 굴절률
- 302 ° · 302 ° (C=0.1, H2O)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 물에 약간 용해되고, 에탄올(96%)에 매우 약간 용해되며, 지방유에는 거의 용해되지 않습니다. 묽은 산과 알칼리성 수산화물의 묽은 용액에 용해됩니다.
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 수용성
- 3.4 mg/ml로 · 3.4mg/ml로 물에 용해됩니다.
- Merck
- 14 · 14,577
- JECFA Number
- 85 · 85
- BRN
- 7507120 · 7507120
- 주요 응용
- 임상 시험
- InChIKey
- AIPFZZHNBUVELL-KQLYYQCPNA-N
- SMILES
- C([C@H]1C(S[C@]2([H])[C@H](NC(=O)[C@@H](C3C=CC(O)=CC=3)N)C(=O)N12)(C)C)(=O)O.O |&1:1,4,6,10,r|
- EPA
- Amoxicillin trihydrate (61336-70-7)
화학적 성질
White to Off-White Solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H317 (78%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 182 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory InformationAmoxycillin trihydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-: Environment tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (78%)
Skin Sens. 1 (50%)
안전 데이터
- wgk
- 2
- rtecs
- XH8300000
- 독성
- LD50 ipr-rat: 2870 mg/kg KSRNAM 7,3040,73
- HS 번호
- 29411000
- risk_code
- 42/43
- hazard_code
- Xn,Xi
- safety_code
- 36-36/37-22
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
용도 및 제조
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> -> JECFA Functional Classes
응용 분야
개요Amoxicillin was synthesized by Beecham Research Laboratories in 1968. A hydroxyl group was introduced on the benzene ring of ampicillin. Amoxicillin shows about a twofold higher serum concentration than ampicillin when administered orally. It was shown by double-blind comparative studies with ampicillin that amoxicillin was as effective as ampicillin when administered at half the dose of ampicillin.
용도Amoxicillin trihydratesemi-synthetic antibiotic related to Penicillin which has antibacterial poperties. It is used for treatment of a variety of bacterial infections. It is used as a pharmaceutical product as a antibiotic agent, anti-infective drug raw materials.
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추가 설명
정의ChEBI: A hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections.
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