Cas no 84803-50-9 ((6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1))
![(6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1) structure](https://ossimg.kuujia.com/scimg/85000/84803-50-9x500.png)
84803-50-9 structure
Product Name:(6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1)
CAS No:84803-50-9
MF:C15H20N4O7S
MW:400.406902313232
CID:889196
PubChem ID:44146850
Update Time:2025-04-19
(6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1) Chemical and Physical Properties
Names and Identifiers
-
- (6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1)
- (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,2-aminoethanol
- (6R-trans)-3-(Acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1)
- DTXSID90233840
- Cephacetrile ethanolamine salt
- 84803-50-9
- EINECS 284-176-6
-
- Inchi： 1S/C13H13N3O6S.C2H7NO/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;3-1-2-4/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);4H,1-3H2/t9-,12-;/m1./s1
- InChI Key： FIUKYWZKCONOFR-WYUVZMMLSA-N
- SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(CC#N)=O)=O.OCCN
Computed Properties
- Exact Mass: 400.10527016g/mol
- Monoisotopic Mass: 400.10527016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 674
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 208?2
(6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
84803-50-9 ((6r-trans)-3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with 2-aminoethanol (1:1)) Related Products
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