4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, magnesium salt (2:1), [2S-(2α,5α,6β)]-

CAS Registry Number®

40182-54-5

CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, magnesium salt (2:1), [2S-(2α,5α,6β)]-

Molecular Formula

C19H17ClFN3O5S.1/2Mg

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, magnesium salt (2:1), [2S-(2α,5α,6β)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40182-54-5 (retrieved 2024-11-22) (CAS RN: 40182-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H17ClFN3O5S.Mg/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/t13-,14+,17-;/m1./s1

InChIKey

InChIKey=XNXJNOBKIQGNET-SLINCCQESA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=C(Cl)C=CC=C4F)C2=O)(SC1(C)C)[H].[Mg]

Canonical SMILES

[Mg].O=C(O)C1N2C(=O)C(NC(=O)C=3C(=NOC3C)C=4C(F)=CC=CC4Cl)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, magnesium salt (2:1), [2S-(2α,5α,6β)]-
  • Magnesium flucloxacillin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration