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Griseofulvin-d3

CAT: 0572-TRC-G787503-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G787503-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279033-22-5
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OC1=CC(=O)C[C@@H](C)[C@@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
Molecular Formula
C17 D3 H14 Cl O6
Molecular Weight
355.785
InChI
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17-/m1/s1/i4D3
Additionnal Information
IUPAC name: (2R,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(trideuteriomethoxy)spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Griseofulvin-d3
CAS Number1279033-22-5
PubChem CID76973812
IUPAC Name(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(trideuteriomethoxy)spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Molecular FormulaC17H17ClO6
Molecular Weight355.8
XLogP2.2
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity575
SMILES
[2H]C([2H])([2H])OC1=CC(=O)C[C@H]([C@@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)C
InChI
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1/i4D3
InChIKey
DDUHZTYCFQRHIY-BCBJJHLGSA-N
Chemical Structure
2D Structure
2D structure of Griseofulvin-d3
CAS: 1279033-22-5
CID: 76973812
Formula: C17H17ClO6
MW: 355.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.8
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass355.0901962
Monoisotopic Mass355.0901962
Topological Polar Surface Area71.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity575
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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