Cas no 52123-49-6 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)-)
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)- structure](https://ossimg.kuujia.com/scimg/52500/52123-49-6x500.png)
52123-49-6 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)-
CAS No:52123-49-6
MF:C13H12F3N6NaO4S3
MW:492.452158927917
CID:372419
PubChem ID:23702658
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)-
- cefazaflur
- sodium,(6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Sodium (6R,7R)-3-(((1-Methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-7-(2-((trifluoromethyl)thio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Sodium (6R,7R)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-({[(trifluoromethyl)sulfanyl]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 7-Trifluoromethylthioacetamido-3-(1-methyl-lH-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid
- sodium;(6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 8NJ5RWV39D
- SK&F-59962
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-7-((((trifluoromethyl)thio)acetyl)amino)-, monosodium salt (6R-trans)-
- 52123-49-6
- SKF-59962
- Q27270787
- Sodium (6R,7R)-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[2-[(trifluoromethyl)thio]acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- SK&F 59962
- SCHEMBL192567
- Cefazaflur sodium (USAN)
- UNII-8NJ5RWV39D
- Sodium (6R,7R)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-7-(2-((trifluoromethyl)thio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
- Cefazaflur sodium [USAN]
- CHEMBL2104456
- CEFAZAFLUR SODIUM
- SKF 59962
- D03422
-
- Inchi： 1S/C13H13F3N6O4S3.Na/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16;/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26);/q;+1/p-1/t7-,10-;/m1./s1
- InChI Key： OTPDSOBPIAYYBT-YZUKSGEXSA-M
- SMILES： S1CC(CSC2=NN=NN2C)=C(C(=O)[O-])N2C([C@H]([C@@H]12)NC(CSC(F)(F)F)=O)=O.[Na+]
Computed Properties
- Exact Mass: 491.99346
- Monoisotopic Mass: 491.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 30
- Rotatable Bond Count: 7
- Complexity: 745
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 209A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 133.14
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[2-[(trifluoromethyl)thio]acetyl]amino]-,sodium salt (1:1), (6R,7R)- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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