Pentoxifylline-d6 (Dimethyl-d6)

CAT: 1596-AR-P30776-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30776-01Size:10 Units

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CAS Number

1185878-98-1

Synonyms

3,7-bis (methyl-d3) -1- (5-oxohexyl) -3,7-dihydro-1H-purine-2,6-dione

Molecular Formula

C13H12D6N4O3

Molecular Weight

284.35

API Name

Pentoxifylline

Chemical Information

Pentoxifylline-d6

CAS Number	1185878-98-1
PubChem CID	46782702
IUPAC Name	1-(5-oxohexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione
Molecular Formula	C13H18N4O3
Molecular Weight	284.34
XLogP	0.3
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	426

SMILES

[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])CCCCC(=O)C

InChI

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i2D3,3D3

InChIKey

BYPFEZZEUUWMEJ-XERRXZQWSA-N

Chemical Structure

2D Structure

CAS: 1185878-98-1

CID: 46782702

Formula: C13H18N4O3

MW: 284.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.34
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	284.17555092
Monoisotopic Mass	284.17555092
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	426
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P01431-01	Pentoxifylline-d6
AR-P01432-01	Hydroxy Pentoxifylline-d6
AR-P30777-01	Pentoxifylline Acid-d6
AR-P30778-01	Hydroxy Pentoxifylline-d6 (rac-Lisofylline-d6)
AR-F02173-01	Dimethyl-d6 Fumarate
AR-H07671-01	Dimethyl-d6-Hydrazine HCl
AR-A06210-01	Dimethyl-d6-Amine HCl
AR-S09881-01	Salicylic Acid Impurity 12-d6 (Dimethyl Sulfate-d6)
AR-P32721-01	N, N-Dimethyl-L-Proline-d6 ((-) -Stachydrine-d6)
AR-C08925-01	DL-Cystine-d6 Dimethyl Ester

Catalog	Name
RM-P052032-01	Pentoxifylline-D6 (Dimethyl-D6)
CS-T-60258	Pentoxifylline-d6
RM-P052034-01	Pentoxifylline Acid-D6
TMIJ-0231-01	Hydroxy Pentoxifylline-d6
RM-P052033-01	Hydroxy Pentoxifylline-D6 (Rac-Lisofylline-D6)
UYB80274-01	Bezafibrate-d6 (dimethyl-d6)
TMIJ-0459-01	Methamidophos-d6 (dimethyl-d6)
TMIJ-0457-01	Daminozide-d6 (dimethyl-d6)
D557101	Doxofylline-d6 (dimethyl-d6)
TRC-F421101-200MG	Flucythrinate D6 (Dimethyl D6)