Ketoprofen-13CD3 Methyl Ester

CAT: 0572-TRC-K200822-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-K200822-10MGSize:10 mg

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CAS Number

1190007-27-2

Synonyms

3-Benzoyl-α-methyl-13CD3-benzeneacetic Acid Methyl Ester

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Smiles

O=C(C1=CC=CC(C(C(OC)=O)[13C]([2H])([2H])[2H])=C1)C2=CC=CC=C2

Molecular Formula

C1613CH13D3O3

Molecular Weight

272.32

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Ketoprofen-13CD3 Methyl Ester

CAS Number	1190007-27-2
PubChem CID	46782026
IUPAC Name	methyl 2-(3-benzoylphenyl)-3,3,3-trideuterio(313C)propanoate
Molecular Formula	C17H16O3
Molecular Weight	272.32
XLogP	3.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	344

SMILES

[2H][13C]([2H])([2H])C(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3/i1+1D3

InChIKey

BIOCOYIPJQMGTN-KQORAOOSSA-N

Chemical Structure

2D Structure

CAS: 1190007-27-2

CID: 46782026

Formula: C17H16O3

MW: 272.32

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	272.32
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	272.13212944
Monoisotopic Mass	272.13212944
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	344
Isotope Atom Count	4
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

Related Products

Catalog	Name
TRC-K200832-1MG	rac Ketoprofen Glucuronide Allyl Ester-13CD3
TRC-K200832-10MG	rac Ketoprofen Glucuronide Allyl Ester-13CD3
K200820	Ketoprofen Methyl Ester
TRC-K200821-1MG	Ketoprofen-d3 Methyl Ester
TRC-D291850-50MG	Desmethyl Ketoprofen Methyl Ester
TRC-D291850-250MG	Desmethyl Ketoprofen Methyl Ester
TRC-K200821-10MG	Ketoprofen-d3 Methyl Ester
TRC-C563773-25MG	Clavulanic Acid Methyl Ester-13CD3
TRC-K200845-1G	Ketoprofen Ethyl Ester
TRC-K200845-5G	Ketoprofen Ethyl Ester

Alternative Products

Catalog	Name
CS-T-102396	Ketoprofen-13CD3 Methyl Ester
015352	Ketoprofen Methyl Ester
sc-211268	Desmethyl Ketoprofen Methyl Ester
MBS6028005-01	Ketoprofen-d3 Methyl Ester
444850	Clavulanic Acid Methyl Ester-13CD3
015358	Rac Ketoprofen Glucuronide Allyl Ester-13CD3
CS-O-46919	Tiopronin 13CD3 (Methyl-13CD3)
sc-488546	Ketoprofen Ethyl Ester
AR-K01072-01	Ketoprofen Sorbitol Ester
HY-157127	Ketoprofen L-thyroxine ester

Ketoprofen-13CD3 Methyl Ester

Chemical Information

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