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Deacetyl Linezolid

CAT: 0572-TRC-D198960-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D198960-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
168828-90-8
Synonyms
2-Oxazolidinone, 5-(aminomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (5S)-; 2-Oxazolidinone, 5-(aminomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (S)-; (-)-(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one; (5S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)-1,3-oxazolidin-2-one; (5S)-5-(Aminomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one; (S)-5-Aminomethyl-3-(3-fluoro-4-morpholinophenyl)-1,3-oxazolidin-2-one; (S)-5-Aminomethyl-3-[3-fluoro-4-(morpholin-4-yl)phenyl]oxazolidin-2-one; (S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine; PNU 105868; Linezolid Related Compound C (USP); Linezolid Related Compound C
Hazard Statement
May cause damage to organs through prolonged or repeated exposure
Purity
>95% (HPLC)
Smiles
NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2
Molecular Formula
C14 H18 F N3 O3
Molecular Weight
295.31
InChI
InChI=1S/C14H18FN3O3/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9,16H2/t11-/m0/s1
Additionnal Information
IUPAC name: (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(5S)-5-(Aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone
CAS Number168828-90-8
PubChem CID10780199
IUPAC Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
Molecular FormulaC14H18FN3O3
Molecular Weight295.31
XLogP0.4
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN)F
InChI
InChI=1S/C14H18FN3O3/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9,16H2/t11-/m0/s1
InChIKey
VXIWZOWWQMRVRF-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (5S)-5-(Aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone
CAS: 168828-90-8
CID: 10780199
Formula: C14H18FN3O3
MW: 295.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.31
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass295.13321961
Monoisotopic Mass295.13321961
Topological Polar Surface Area68 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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