Tedizolid Phosphate Impurity 37

CAT: 1299-RM-T042637-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T042637-01Size:10 mg

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CAS Number

1239662-46-4

Synonyms

(R) -5- (chloromethyl) -3- (3-fluoro-4- (6- (2-methyl-2H-tetrazol-5-yl) pyridin-3-yl) phenyl) oxazolidin-2-one

Molecular Formula

C17H14ClFN6O2

Molecular Weight

388.78

Target Alternative Name

Tedizolid

Product Name Synonym

(R) -5- (chloromethyl) -3- (3-fluoro-4- (6- (2-methyl-2H-tetrazol-5-yl) pyridin-3-yl) phenyl) oxazolidin-2-one

Chemical Information

Deshydroxy-chloro Tedizolid

CAS Number	1239662-46-4
PubChem CID	68505552
IUPAC Name	5-(chloromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
Molecular Formula	C17H14ClFN6O2
Molecular Weight	388.8
XLogP	2.7
Topological Polar Surface Area	86
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	546

SMILES

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CCl)F

InChI

InChI=1S/C17H14ClFN6O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)19)25-9-12(7-18)27-17(25)26/h2-6,8,12H,7,9H2,1H3

InChIKey

XBEWJWSQISOVRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1239662-46-4

CID: 68505552

Formula: C17H14ClFN6O2

MW: 388.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.8
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	388.0850796
Monoisotopic Mass	388.0850796
Topological Polar Surface Area	86 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	546
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T042663-01	Tedizolid Impurity 37
RM-T041902-01	Tedizolid Phosphate Impurity A
RM-T041914-01	Tedizolid Phosphate Impurity M
RM-T041925-01	Tedizolid Phosphate Impurity X
RM-T041910-01	Tedizolid Phosphate Impurity I
RM-T041919-01	Tedizolid Phosphate Impurity R
RM-T041923-01	Tedizolid Phosphate Impurity V
RM-T041922-01	Tedizolid Phosphate Impurity U
RM-T041916-01	Tedizolid Phosphate Impurity O
RM-T041915-01	Tedizolid Phosphate Impurity N