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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI) | 22202-75-1

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI)结构式图片|22202-75-1结构式图片
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI)
22202-75-1
C18H19N3O6S.2[H2O]
441.45552
166592
名称和标识符
InChIKey KURFSUDYQUKEJZ-SBMYYUOMSA-N
Inchi InChI=1S/C18H19N3O6S.2H2O/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10;;/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26);2*1H2/t12-,13-,17-;;/m1../s1
SMILES O.O.CC(OCC1CS[C@@H]2[C@@H](C(=O)N2C=1C(=O)O)NC([C@@H](C1C=CC=CC=1)N)=O)=O
别名信息
- 中文别名 -
- 英文别名 -
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI)
  • (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,dihydrate
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6
  • CEFALOGLYCIN
  • Cephaloglycin [USAN:USP]
  • Cephaloglycin [USP:BAN]
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*))), dihydrate
  • CEPHALOGLYCIN [ORANGE BOOK]
  • Kefocin (TN)
  • (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate (ester) dihydrate
  • Kafocin
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((AMINOPHENYLACETYL)AMINO)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*))), DIHYDRATE
  • (6R,7R)-7-[(R)-2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetate (ester) dihydrate
  • Cephaloglycin dihydrate
  • 7-(D-alpha-Aminophenylacetamido)-cephalosporanic acid dihydrate
  • UNII-NE7R11LA95
  • Cephaloglycin [USAN:USP:BAN]
  • CEPHALOGLYCIN DIHYDRATE [MI]
  • 22202-75-1
  • (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • dihydrate
  • NE7R11LA95
  • D03439
  • CEPHALOGLYCIN [USAN]
  • DTXSID20176751
  • SCHEMBL719862
  • Cephaloglycin (USAN)
  • 7-(D-.ALPHA.-AMINOPHENYLACETAMIDO)-CEPHALOSPORANIC ACID DIHYDRATE
物化性质
实验特性
PSA 202.03
沸点 761.8°Cat760mmHg
熔点 223-250° (dec)
闪点 414.5°C
计算特性
精确分子量 441.12069
氢键供体数量 5
氢键受体数量 10
可旋转化学键数量 7
同位素质量 441.121
重原子数量 30
复杂度 718
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 3
拓扑分子极性表面积 166A^2
专业数据库参考
PubChemId 166592
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI)推荐生产厂家
960化工网为您提供5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, dihydrate,[6R-[6a,7b(R*)]]- (9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:22202-75-1,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:22202-75-1
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