기본 정보
- CAS
55975-92-3- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CN=C(N)c3ccncc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
WRFCGBVLTRJBKN-QSNWEANLSA-N- 분자식
- C24H26N6O5S
- 평균 분자량
- 510.6 g/mol
- 단동위원소 질량
- 510.16853912
개요
Pirbenicillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Pirbenicillin is a antibiotic, 6-aminopenicillanic acid derivative. Pirbenicillin has a monoisotopic molecular weight of 510.17 Da.
이름 및 식별자
- 우선 이름
- Pirbenicillin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 현지명
- 피르베니실린
- 영어명
- Pirbenicillin
- 분자식
- C24H26N6O5S
- 분자량
- 510.57
이름 및 동의어
Pirbenicillin55975-92-38ARY01XRYUpirbenicilinapirbenicilline(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidDTXSID70204553pirbenicillinum(2S,5R,6R)-6-(((2R)-2-((2-((amino(pyridin-4-yl)methylidene)amino)acetyl)amino)-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidRefChem:174508DTXCID001270446-(D-2-phenyl-2-(N-4-pyridylformimidyl aminoacetamido)acetamido)penicillanic acid
이름 더 보기
피르베니실린6β-{(R)-2-[(N-isonicotinimidoyl-glycyl)-amino]-2-phenyl-acetylamino}-penicillanic acid(6R)-6-[[(R)-Phenyl[[[(imino)(4-pyridinyl)methylamino]acetyl]amino]acetyl]amino]penicillanic acidGlycinamide, N-(imino-4-pyridinylmethyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenyl-, (2R)-
CP-33,994Pirbenicillin [INN]UNII-8ARY01XRYUSCHEMBL305647CHEMBL2110979GTPL10845Q27270119(2S,5R,6R)-6-{[(2R)-2-({(Z)-N-[Amino(pyridin-4-yl)methylidene]glycyl}amino)-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 915
물리화학적 성질
- 밀도
- 1.523 · 1.523±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.443 · 2.443±0.50(predicted)
화학 및 산업
응용 분야
용도Antibacterial.
공급사1 곳
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
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