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Diclofenac-d4

CAT: 0572-TRC-D436452-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436452-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153466-65-0
Synonyms
6-[(2,6-Dichlorophenyl)amino]-benzen-2,3,4,5-d4-acetic acid; Diclofenac D4 acid (phenyl D4); Diclofenac (phenyl D4)
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1[2H]
Molecular Formula
C14 2H4 H7 Cl2 N O2
Molecular Weight
300.17
InChI
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
Additionnal Information
IUPAC name: 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(2,3,4,5-Tetradeuterio-6-(2,6-dichloroanilino)phenyl)acetic acid
CAS Number153466-65-0
PubChem CID12877529
IUPAC Name2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
Molecular FormulaC14H11Cl2NO2
Molecular Weight300.2
XLogP4.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity304
SMILES
[2H]C1=C(C(=C(C(=C1[2H])CC(=O)O)NC2=C(C=CC=C2Cl)Cl)[2H])[2H]
InChI
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
InChIKey
DCOPUUMXTXDBNB-SCFZSLNVSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,3,4,5-Tetradeuterio-6-(2,6-dichloroanilino)phenyl)acetic acid
CAS: 153466-65-0
CID: 12877529
Formula: C14H11Cl2NO2
MW: 300.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.2
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass299.0417910
Monoisotopic Mass299.0417910
Topological Polar Surface Area49.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity304
Isotope Atom Count4
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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Alternative Products

CatalogName
HY-15036S-01Diclofenac-d4
HY-15037S1-01Diclofenac-d4 (sodium)
CS-T-557944-Hydroxy Diclofenac-d4
AR-D01695-014'-Hydroxy Diclofenac-d4
CS-O-49510N-Nitroso Diclofenac-d4
AR-D01722-01Diclofenac-d4 Acyl Glucuronide
CS-C-00753Diclofenac-d4 Sodium Salt (phenyl-d4-acetic)
TMID-0220-014'-Hydroxy Diclofenac-d4 (Major)
AR-D01723-014'-Hydroxy-Diclofenac-d4 Acyl Glucuronide
CS-P-028864-Hydroxy-Diclofenac-d4 Acyl Glucuronide

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