Cas no 75524-31-1 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-)
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- structure](https://ossimg.kuujia.com/scimg/76000/75524-31-1x500.png)
75524-31-1 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
CAS No:75524-31-1
MF:C19H17ClFN3O6S
MW:469.87118601799
CID:564030
PubChem ID:64708
Update Time:2025-04-19
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
- 5-Hydroxymethyl Flucloxacillin
- 5-Hydroxymethyl Flucloxacillin DISCONTINUED
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxy...
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]a
- (2S,5R,6R)-6-[[[3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
- 75524-31-1
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
- (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 6-(((3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta))-
- 5-Hydroxymethylflucloxacillin
- (2S,5R,6R)-6-(3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)isoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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- Inchi： 1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1
- InChI Key： ZUBWLMQDPXVIGD-JKIFEVAISA-N
- SMILES： ClC1C=CC=C(C=1C1C(=C(CO)ON=1)C(N[C@@H]1C(N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21)=O)=O)F
Computed Properties
- Exact Mass: 469.05100
- Monoisotopic Mass: 469.051062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 775
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 158
Experimental Properties
- Density: 1.67
- Boiling Point: 737.9°C at 760 mmHg
- Flash Point: 400°C
- Refractive Index: 1.693
- PSA: 158.27000
- LogP: 2.20050
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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