Parecoxib Sodium Impurity 60

CAT: 1299-RM-P186062-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P186062-01Size:10 mg

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CAS Number

26306-06-9

Synonyms

(E) -1,2-diphenylethanone oxime

Molecular Formula

C14H13NO

Molecular Weight

211.26

Target Alternative Name

Parecoxib

Product Name Synonym

(E) -1,2-diphenylethanone oxime

Chemical Information

Deoxybenzoin oxime

CAS Number	26306-06-9
PubChem CID	5375333
IUPAC Name	(NE)-N-(1,2-diphenylethylidene)hydroxylamine
Molecular Formula	C14H13NO
Molecular Weight	211.26
XLogP	3.4
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	225

SMILES

C1=CC=C(C=C1)C/C(=N\O)/C2=CC=CC=C2

InChI

InChI=1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2/b15-14+

InChIKey

PWCUVRROUAKTLL-CCEZHUSRSA-N

Chemical Structure

2D Structure

CAS: 26306-06-9

CID: 5375333

Formula: C14H13NO

MW: 211.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.26
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	211.099714038
Monoisotopic Mass	211.099714038
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19280955-01	Parecoxib sodium impurity 10
HY-W038820R	Parecoxib sodium impurity 10 (Standard)
AR-P30388-01	Parecoxib Impurity 52 Sodium Salt
AR-P29652-01	Parecoxib Acetamide Impurity Sodium Salt
AR-P01201-01	Parecoxib Impurity E Sodium Salt
B1239-25	Parecoxib Sodium
HY-17474A-01	Parecoxib (Sodium)