4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-
기본 정보
- CAS
61177-44-4- 표준 SMILES
O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[Li+]- InChIKey
JMRXTGCDVQLAFM-JSYANWSFSA-M- 분자식
- C8H8LiNO5
- 평균 분자량
- 205.1 g/mol
- 단동위원소 질량
- 205.05625191
이름 및 식별자
- 우선 이름
- 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-
- IUPAC
- lithium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
- 영어명
- lithium clavulanate
- 분자식
- C8H10LiNO5
- 분자량
- 207.11
이름 및 동의어
4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-RefChem:526080CLAVULANATE LITHIUM61177-44-4LITHIUM CLAVULANATELithium (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateDTXSID0046012lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateClavulanate (lithium)Lithium [2R-(2alpha,3(Z),5alpha)]-3-(2-hydroxyethylidene)-4-oxa-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylateCHEMBL9306
이름 더 보기
purity 96-98%LITHIUM CLAVULAMATELithium clavulanoateClavulanic acid lithiumLithium Clavulanate (L0720000)Clavulanate lithium, 10 mM in DMSOClavulanate Lithium(Secondary Standards traceble to EP)
Lithium (2R-(2alpha,3(Z),5alpha))-3-(2-hydroxyethylidene)-4-oxa-7-oxo-1-azabicyclo(3.2.0)heptane-2-carboxylateLithium ClaviateNCGC00096009-01EINECS 262-639-3Lithium clavulanate CRSC8H8LiNO57V8MJK33EJHY-A0256BR
물성
구조 계산 물성
- 극성 표면적
- 89.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 329
물리화학적 성질
- 녹는점
- 234 °C · >234°C (dec.)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 메탄올(약간 용해됨, 가열, 초음파 처리), 물(약간 용해됨)
- 물리적 상태
- Solid
- 색상
- 라이트 베이지부터 브라운까지
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C8H9NO5.Li/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
- InChIKey
- JMRXTGCDVQLAFM-JSYANWSFSA-M
- SMILES
- [Li+].N21[C@H](O\C(=C/CO)\[C@@H]2C(=O)[O-])CC1=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesRepr. 1B (50%)
안전 데이터
- wgk
- 3
- risk_code
- 63
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard Classifications
- Repr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Clavulanate Lithium is used as an antibacterial compound against a β-lactamase producing strain of Staphylococcus aureus.
관련 반응
8건
화합물 노트
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