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Bezafibrate-d6 (dimethyl-d6)

CAT: 0572-TRC-B341001-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B341001-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219802-74-0
Synonyms
Bezafibrate D6 (dimethyl D6); 2-[4-[2-[(4-Chlorobenzoyl)amino]ethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)(C(=O)O)C([2H])([2H])[2H]
Molecular Formula
C19 2H6 H14 Cl N O4
Molecular Weight
367.86
InChI
InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/i1D3,2D3
Additionnal Information
IUPAC name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bezafibrate-d6
CAS Number1219802-74-0
PubChem CID76973645
IUPAC Name2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Molecular FormulaC19H20ClNO4
Molecular Weight367.9
XLogP3.8
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity452
SMILES
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/i1D3,2D3
InChIKey
IIBYAHWJQTYFKB-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Bezafibrate-d6
CAS: 1219802-74-0
CID: 76973645
Formula: C19H20ClNO4
MW: 367.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.9
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass367.1457463
Monoisotopic Mass367.1457463
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity452
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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