기본 정보
- CAS
35531-88-5- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
JIRBAUWICKGBFE-MNRDOXJOSA-N- 분자식
- C26H26N2O6S
- 평균 분자량
- 494.6 g/mol
- 단동위원소 질량
- 494.15115773
개요
Carindacillin is a penicillin. It is a conjugate acid of a carindacillin(1-).
이름 및 식별자
- 우선 이름
- Carindacillin
- IUPAC
- (2S,5R,6R)-6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 현지명
- 카린다실린
- 영어명
- CARINDACILLIN
- 분자식
- C26H26N2O6S
- 분자량
- 494.56
이름 및 동의어
CarindacillinCarbenicillin indanylIndanyl carbenicillinCarindacilinaCarindacilline35531-88-5CarindacillinumDTXSID60487055V278481KE(2S,5R,6R)-6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidDTXCID3028631CHEBI:52015
이름 더 보기
카린다실린Geopen-U6α-[[3-(2,3-Dihydro-1H-inden-5-yl)oxy-1,3-dioxo-2-phenylpropyl]amino]penicillanic acid(2S,5R,6R)-6-[(3-indan-5-yloxy-3-keto-2-phenyl-propanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenyl-propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R)-6α-[[3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-1,3-dioxo-2-phenylpropyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[3-[(2,3-dihydro-1H-inden-5-yl)oxy]-1,3-dioxo-2-phenylpropyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 887
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
LogP4.56
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Other Safety InformationIMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[3-[(2,3-dihydro-1H-inden-5-yl)oxy]-1,3-dioxo-2-phenylpropyl]amino]-3,3-dimethyl-7-oxo-, [2S(2.alpha.,5.alpha.,6.beta.)]-: Environment tier I assessment
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
응용 분야
용도Antibacterial.
상·하류 제품 정보
상류 원료
공급사3 곳
北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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