기본 정보
- CAS
27025-49-6- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
NZDASSHFKWDBBU-KVMCETHSSA-N- 분자식
- C23H22N2O6S
- 평균 분자량
- 454.5 g/mol
- 단동위원소 질량
- 454.1198576
개요
Carfecillin is a penicillin. It is functionally related to a carbenicillin. It is a conjugate acid of a carfecillin(1-).
이름 및 식별자
- 우선 이름
- Carfecillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- Carbenicillin phenyl sodium
- 분자식
- C23H22N2O6S
- 분자량
- 454.5
이름 및 동의어
CarfecillinCarbenicillin phenylCarfecilinaCarfecillineCarbenicillin phenyl ester27025-49-6Carfecillinum9UU4XDB74X6-(2-Phenoxycarbonyl-2-phenylacetamido)penicillansaeureBRL 3475CHEBI:3414DTXSID10891704
이름 더 보기
1-phenylestercarbenicillinphenylcarbenicillinphenylesterCarbenicillin phenyl sodiumCARBENICILLIN PHENYL SODIUM USP/EP/BPCarbenicillin Impurity 1 (Carbenicillin Phenyl Ester)6α-[(1,3-Dioxo-3-phenoxy-2-phenylpropyl)amino]penicillanic acidN-[(2S,5β)-2β-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6α-yl]phenylmalonamidic acid 1-phenyl ester6-[(1,3-Dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-[s-(2,5,6)]4-thia-1-azobycyclo[3,2,0]pentane-2-carbonic acid
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((2-phenoxycarbonyl)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((1,3-dioxo-3-phenoxy-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-Carphecillin2,2-dimethyl-6beta-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3alpha-carboxylic acidCarfecillin Sodium Salt2,2-dimethyl-6beta-((3-oxo-3-phenoxy-2-phenylpropanoyl)amino)penam-3alpha-carboxylic acid(2S,5R,6R)-3,3-dimethyl-7-oxo-6-((3-oxo-3-(phenoxy)-2-phenylpropanoyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[3-oxo-3-(phenoxy)-2-phenylpropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 774
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
LogP3.14
물리화학적 성질
- 끓는 점
- 770.9 · 770.9±60.0 °C(Predicted)
- 밀도
- 1.2538 · 1.2538 (rough estimate)
- 굴절률
- 1.651 · 1.6510 (estimate)
- 산도 계수 (pKa)
- 2.44 · 2.44±0.50(Predicted)
화학 및 산업
약리 정보
ATC Code
G - Genito urinary system and sex hormones
QG - Genito urinary system and sex hormones
MeSH Pharmacological Classification
Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
Substances that inhibit the growth or reproduction of BACTERIA.
응용 분야
용도Antibacterial.
공급사4 곳
北京华美互利生物化工010-56205725 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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