Furofenac-d3

CAT: 0804-HY-132400S-01Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-132400S-01Size:2.5 mg

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Description

Furofenac-d3 is the deuterium labeled Furofenac[1].

CAS Number

1794754-03-2

UNSPSC

12352005

Target

Isotope-Labeled Compounds

Related Pathways

Others

Field of Research

Others

Solubility

10 mM in DMSO

Smiles

C(C(O)=O)C=1C=C2C(OC(CC([2H])([2H])[2H])C2)=CC1

Molecular Formula

C12H11D3O3

Molecular Weight

209.26

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

Furofenac-d3

CAS Number	1794754-03-2
PubChem CID	71317015
IUPAC Name	2-[2-(2,2,2-trideuterioethyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid
Molecular Formula	C12H14O3
Molecular Weight	209.26
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

[2H]C([2H])([2H])CC1CC2=C(O1)C=CC(=C2)CC(=O)O

InChI

InChI=1S/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)/i1D3

InChIKey

MYQXHLQMZLTSDB-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1794754-03-2

CID: 71317015

Formula: C12H14O3

MW: 209.26

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	209.26
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	209.113124542
Monoisotopic Mass	209.113124542
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
Isotope Atom Count	3
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

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Furofenac-d3

Chemical Information

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