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Hydroxy Pentoxifylline-d6

CAT: 0931-TMIJ-0231-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0231-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185995-73-6
Bioactivity
Hydroxy Pentoxifylline-d6 is a deuterated compound of Hydroxy Pentoxifylline. Hydroxy Pentoxifylline has a CAS number of 6493-06-7. (±) -Lisofylline is an enantiomer-specific, alkyl-substituted methylxanthine, which has specific and potent activity in down-regulating leukocyte activation. (±) -Lisofylline is an anti-inflammatory agent.
Smiles
N1(C)C2=C(N(C)C(=O)N(CCCC([2H])([2H])C(O)C([2H])([2H])[2H])C2=O)N=C1[2H]
Molecular Formula
C13H14D6N4O3
Molecular Weight
286.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroxy Pentoxifylline-d6 (rac-Lisofylline-d6)
CAS Number1185995-73-6
PubChem CID44205863
IUPAC Name8-deuterio-3,7-dimethyl-1-(4,4,6,6,6-pentadeuterio-5-hydroxyhexyl)purine-2,6-dione
Molecular FormulaC13H20N4O3
Molecular Weight286.36
XLogP0.7
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity390
SMILES
[2H]C1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCC([2H])([2H])C(C([2H])([2H])[2H])O
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i1D3,6D2,8D
InChIKey
NSMXQKNUPPXBRG-DQZWRVPZSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Pentoxifylline-d6 (rac-Lisofylline-d6)
CAS: 1185995-73-6
CID: 44205863
Formula: C13H20N4O3
MW: 286.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.36
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass286.19120099
Monoisotopic Mass286.19120099
Topological Polar Surface Area78.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TMIJ-0469-01Metolachlor-d6 (propyl-d6)
TMIJ-0457-01Daminozide-d6 (dimethyl-d6)
TMIJ-0421-01Para Red-d6 (naphthyl-d6)

Alternative Products

CatalogName
AR-P01432-01Hydroxy Pentoxifylline-d6
AR-P30778-01Hydroxy Pentoxifylline-d6 (rac-Lisofylline-d6)
AR-P01429-01Hydroxy Pentoxifylline
CS-O-45016Hydroxy Pentoxifylline-d5
CS-O-46384Hydroxy Pentoxifylline-d4
CS-BV-00017Hydroxy Pentoxifylline-d3
RYB89318-01Hydroxy Bupropion-d6
WZB81757-01Hydroxy bosentan-d6
HY-144228S-01Hydroxy Tipelukast-d6
AR-M04666-01Hydroxy Mifepristone-d6

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