기본 정보
- CAS
1053703-36-8- 표준 SMILES
C[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)O)=C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)[C@@H]1C- InChIKey
ILVWWUFTACAPIZ-SRDDMOCCNA-N- 분자식
- C17H27N3O6S
- 평균 분자량
- 401.5 g/mol
- 단동위원소 질량
- 401.16205676
이름 및 식별자
- 우선 이름
- Meropenem open ring
- IUPAC
- (2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid
- 영어명
- Meropenem IMP A
- 분자식
- C17H27N3O6S
- 분자량
- 401.48
이름 및 동의어
1053703-36-8Meropenem open ring(4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acidUNII-4MC3K7LDC64MC3K7LDC6Meropenem trihydrate impurity A [EP](4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-((dimethylamino)carbonyl)pyrrolidin-3-yl)sulfanyl)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acidMEROPENEM TRIHYDRATE IMPURITY A [EP IMPURITY](.ALPHA.S,2S,3R)-5-CARBOXY-4-(((3S,5S)-5-((DIMETHYLAMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-2,3-DIHYDRO-.ALPHA.-((1R)-1-HYDROXYETHYL)-3-METHYL-1H-PYRROLE-2-ACETIC ACID(alphaS,2S,3R)-5-Carboxy-4-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-2,3-dihydro-alpha-((1R)-1-hydroxyethyl)-3-methyl-1H-pyrrole-2-acetic acid1H-PYRROLE-2-ACETIC ACID, 5-CARBOXY-4-(((3S,5S)-5-((DIMETHYLAMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-2,3-DIHYDRO-.ALPHA.-((1R)-1-HYDROXYETHYL)-3-METHYL-, (.ALPHA.S,2S,3R)-1H-Pyrrole-2-acetic acid, 5-carboxy-4-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-2,3-dihydro-alpha-((1R)-1-hydroxyethyl)-3-methyl-, (alphaS,2S,3R)-
물성
구조 계산 물성
- XLogP
- -2.5
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 653
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Meropenem
물리화학적 성질
- 끓는 점
- 660.3 · 660.3±55.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.93 · 2.93±0.60(Predicted)
- 색상
- 황백색에서 연한 노란색
- InChIKey
- ILVWWUFTACAPIZ-SRDDMOCCNA-N
- SMILES
- [C@@H]([C@]1([H])NC(C(=O)O)=C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)[C@@H]1C)(C(=O)O)[C@H](O)C |&1:0,1,10,13,20,25,r|
화학 및 산업
응용 분야
용도Des-(1-Azabicyclo) Meropenem is the impurity of Meropenem (M225668), which is an ultra-broad spectrum injectable antibiotic used to treat a wide variety of infections, including meningitis and pneumonia.
공급사45 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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