PNU-100440

CAT: 0013-GTR19173263-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19173263-02Size:1 g

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Description

PNU-100440 is a bioactive small molecule serving as a synthetic intermediate for linezolid dimers and an impurity in the antibiotic Linezolid. It is utilized in pharmaceutical research for studying antibiotic synthesis, degradation pathways, and related in vitro analytical methods.

CAS Number

168828-82-8

Product Name Alternative

PNU 100440, PNU100440, PNU-100440

Field of Research

Metabolism Research

Purity

98.39% (May vary between batches)

Solubility

DMSO:60 mg/mL (202.5 mM)

Smiles

OC[C@H]1CN (C (=O) O1) C1=CC (F) =C (C=C1) N1CCOCC1

Molecular Formula

C14H17FN2O4

Molecular Weight

296.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

CAS Number	168828-82-8
PubChem CID	10541953
IUPAC Name	(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Molecular Formula	C14H17FN2O4
Molecular Weight	296.29
XLogP	0.7
Topological Polar Surface Area	62.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	378

SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F

InChI

InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1

InChIKey

OLDRPBWULXUVTL-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 168828-82-8

CID: 10541953

Formula: C14H17FN2O4

MW: 296.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	296.29
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	296.11723519
Monoisotopic Mass	296.11723519
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378
Isotope Atom Count	0
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

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Alternative Products

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T19645-01	PNU-100440
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B1615-10	PNU-120596
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B7166-50	PNU 96415E
HY-105372	PNU-103657
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PNU-100440

Chemical Information

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