Cephapirin lactone

HCID 162917CAS 60517-75-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(CSc1ccncc1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12
InChIKey: LINJTNNYPFWNIF-BXUZGUMPSA-N
分子式: C15H13N3O4S2
平均分子量: 363.4 g/mol
単同位体質量: 363.0347479

概要

structure given in first source

名称と識別子

優先名称: Cephapirin lactone
IUPAC: N-[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-pyridin-4-ylsulfanylacetamide
英語名: cephapirin lactone
分子式: C15H13N3O4S2
分子量: 363.41

名称と別名

Cephapirin lactone60517-75-1Deacetylcephapirin lactone88E7H23KRY1,1-(((4-Pyridylthio)acetyl)amino)-2-aza-8-furo-9,10-oxo-4-thiatricyclo(7.2.2.0)undeca-1-eneRefChem:124426Acetamide, 2-(4-pyridinylthio)-N-(1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto(2,1-b)furo(3,4-d)(1,3)thiazin-6-yl)-, (6R-trans)-N-[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-pyridin-4-ylsulfanylacetamideCefapirin EP Impurity ACefcapene Pivoxil LactoneUNII-88E7H23KRYorb3134783

名称をさらに表示

Cefapirin ImpurityCaprylic Acid ImpurityCaprylic Acid Impurity 11Cefpimizole Lactone (EP Impurity A)Cefcapene Pivoxil Lactone (EP Impurity A)Acetamide, 2-(4-pyridinylthio)-N-[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]-

DTXSID80975929N-((5aR,6R)-1,7-dioxo-1,4,5a,6-tetrahydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)-2-(pyridin-4-ylthio)acetamideHY-127142CEFAPIRIN SODIUM IMPURITY A [EP IMPURITY]T210334(5AR,6R)-6-((((PYRIDIN-4-YL)SULFANYL)ACETYL)AMINO)-5A,6-DIHYDRO-3H,7H-AZETO(2,1-B)FURO(3,4-D)(1,3)THIAZINE-1,7(4H)-DIONEACETAMIDE, 2-(4-PYRIDINYLTHIO)-N-((5AR,6R)-1,4,5A,6-TETRAHYDRO-1,7-DIOXO-3H,7H-AZETO(2,1-B)FURO(3,4-D)(1,3)THIAZIN-6-YL)-N-(1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)-2-[(pyridin-4-yl)sulfanyl]ethanimidic acid

データベース識別子

CAS: 60517-75-1
PubChem CID: 162917
DTXSID: DTXSID80975929
UNII: 88E7H23KRY

物性

構造計算による物性

XLogP: 0
極性表面積: 139 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 24
形式電荷: 0
複雑度: 618

物理化学的性質

沸点: 829.1 · 829.1±65.0 °C(Predicted)
比重(密度): 1.62 · 1.62±0.1 g/cm3(Predicted)
酸解離定数(Pka): 11.84 · 11.84±0.20(Predicted)

化学と産業

サプライヤー6 社

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

深圳鼎邦化学品有限公司15616500668 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

BOC Sciences16314854226; +8616314854226 · [email protected]

上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]