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)
22202-75-1
C18H19N3O6S.2[H2O]
441.45552
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
- 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 |
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