기본 정보
- CAS
22164-94-9- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NS(=O)(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
OIECDSKSPRTZHG-NJBDSQKTSA-N- 분자식
- C16H19N3O7S2
- 평균 분자량
- 429.5 g/mol
- 단동위원소 질량
- 429.0664423
개요
Suncillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Suncillin is a antibiotic, 6-aminopenicillanic acid derivative. Suncillin has a monoisotopic molecular weight of 429.07 Da.
이름 및 식별자
- 우선 이름
- Suncillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- Suncillin
- 분자식
- C16H19N3O7S2
- 분자량
- 429.47
이름 및 동의어
Suncillin22164-94-9suncilinasuncillineD6XHM6R84SDTXSID801043223suncillinum6-(alpha-Sulfoaminophenyl)acetamidopenicillanic acidRefChem:186790DTXCID101525921Suncillin [INN](2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-phenyl-2-(sulfoamino)acetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
이름 더 보기
Suncillin USP/EP/BP(6R)-6-[[(2R)-2-Phenyl-2-sulfoaminoacetyl]amino]penicillanic acid4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenyl-2-(sulfoamino)acetamido)-, D-4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2R)-phenyl(sulfoamino)acetyl)amino)-, (2S,5R,6R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-, (2S,5R,6R)-4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenyl(sulfoamino)acetyl)amino)-, (2S-(2 alpha ,5 alpha ,6 beta (S*)))-
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidUNII-D6XHM6R84S6-(D-alpha-Sulfoaminophenylacetamido)penicillanic acidorb2815103SCHEMBL2110726CHEMBL2111139BL-P1462T202608
데이터베이스 식별자
- CAS
22164-94-9- PubChem CID
- 3034014
- DTXSID
DTXSID801043223- ChEMBL
CHEMBL2111139- UNII
- D6XHM6R84S
- Nikkaji
- J11.250J
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 187 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 774
물리화학적 성질
- 밀도
- 1.654 · 1.654±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 0.674 · 0.674±0.50(predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
공급사3 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
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