기본 정보
- CAS
87-09-2- 표준 SMILES
C=CCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O- InChIKey
QULKGELYPOJSLP-WCABBAIRSA-N- 분자식
- C13H18N2O4S2
- 평균 분자량
- 330.4 g/mol
- 단동위원소 질량
- 330.07079906
개요
Penicillin O is a penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum. It has a role as a Penicillium metabolite.
이름 및 식별자
- 우선 이름
- Almecillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- almecillin
- 분자식
- C13H18N2O4S2
- 분자량
- 330.42
이름 및 동의어
ALMECILLINPenicillin OAlmecillin [INN]AlmezillinCer-O-CillinAlmecillinaAlmecillina [DCIT]Almecilina [INN-Spanish]Almecilline [INN-French]Almecillinum [INN-Latin]UNII-6246WH0S1O((allylthio)methyl) penicillin
이름 더 보기
PenicillinOPenicillin ATalmecillin USP/EP/BPAllylthiomethylpenicillin6α-[[(2-Propenylthio)acetyl]amino]penicillanic acid(6R)-6-[N-[2-(Allylthio)acetyl]amino]penicillanic acid(2S,5R,6R)-6-[[2-(allylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
BRN 00443076246WH0S1OPENICILLIN O [MI]DTXSID502360344-27-00-05887 (Beilstein Handbook Reference)(2S,5R,6R)-6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure3,3-Dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
데이터베이스 식별자
- CAS
87-09-2- PubChem CID
- 71365
- DTXSID
DTXSID50236034- ChEMBL
CHEMBL2105909- ChEBI
CHEBI:51207- UNII
- 6246WH0S1O
- Nikkaji
- J10.170B
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 495
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
물리화학적 성질
- 끓는 점
- 227.2 °C · 227.2°C (rough estimate)
- 밀도
- 1.3468 · 1.3468 (rough estimate)
- 굴절률
- 1.651 · 1.6510 (estimate)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사1 곳
Dideu Industries Group Limited+8617392712697 · [email protected]
추가 설명
정의ChEBI: A penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum.
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