Linezolid-d3

CAT: 0024-sc-280922Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280922Size:1 mg

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CAS Number

1127120-38-0

Chemical Information

N-(((5S)-3-(3-Fluoro-4-(morpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)(~2~H_3_)acetamide

CAS Number	1127120-38-0
PubChem CID	25217322
IUPAC Name	2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Molecular Formula	C16H20FN3O4
Molecular Weight	340.36
XLogP	0.7
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	472

SMILES

[2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F

InChI

InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1/i1D3

InChIKey

TYZROVQLWOKYKF-FUPFOCIHSA-N

Chemical Structure

2D Structure

CAS: 1127120-38-0

CID: 25217322

Formula: C16H20FN3O4

MW: 340.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.36
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	340.16261453
Monoisotopic Mass	340.16261453
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	472
Isotope Atom Count	3
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487980	Linezolid N-Oxide-D3
sc-487981	Linezolid Diphthalimide
sc-489010	(R) -Linezolid
sc-499544	Defluoro linezolid
sc-489187	Linezolid Dimer
sc-489188	Linezolid N-Oxide
sc-499738	Deacetyl (R) -linezolid
sc-499726	Deacetamide linezolid phthalimide
sc-499745	Deacetyl linezolid thioacetamide
sc-500223	N, O-Desethylene Linezolid