Propentofylline-d6

CAT: 0926-RYB51637-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-RYB51637-02Size:10 mg

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CAS Number

1216516-37-8

Smiles

CCCN1C=NC2=C1C (=O) N (C (=O) N2C) CCCCC (=O) C

Molecular Formula

C15H22N4O3

Molecular Weight

312.4 g/mol

Controlled

Chemical Information

Propentofylline-d6

CAS Number	1216516-37-8
PubChem CID	46782790
IUPAC Name	1-(1,1,2,2,3,3-hexadeuterio-5-oxohexyl)-3-methyl-7-propylpurine-2,6-dione
Molecular Formula	C15H22N4O3
Molecular Weight	312.40
XLogP	0.7
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	454

SMILES

[2H]C([2H])(CC(=O)C)C([2H])([2H])C([2H])([2H])N1C(=O)C2=C(N=CN2CCC)N(C1=O)C

InChI

InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3/i5D2,6D2,9D2

InChIKey

RBQOQRRFDPXAGN-BHEAPFQRSA-N

Chemical Structure

2D Structure

CAS: 1216516-37-8

CID: 46782790

Formula: C15H22N4O3

MW: 312.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.40
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	312.20685105
Monoisotopic Mass	312.20685105
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	454
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
FP27197-01	Propentofylline
FR27468	Rac 5-hydroxy propentofylline
UYB80274-01	Bezafibrate-d6 (dimethyl-d6)
KGA22744-01	(±) -Mdea-d6[ (±) -3,4-methylenedioxyethylamphetamine-d6]
NEA89208-01	(±) -±-Tocopherol-D6 (Vitamin E-D6) solution
ZWB68349-01	Vandetanib-d6
KBC91003-01	Nisoldipine-d6
JAC51918-01	Neratinib-d6
IVB22930-01	Levetiracetam-d6
ICC27867-01	Cariprazine-d6

Catalog	Name
TRC-P768702-10MG	Propentofylline-d6
sc-488543	Rac 5-Hydroxy propentofylline-d6
M33635-01	Propentofylline
463054	Propentofylline-d7
AR-P03072-01	Hydroxy Propentofylline
sc-488198	Rac 5-Hydroxy Propentofylline