Ulodesine

CAT: 0607-BA7445-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7445-1Size:1 mg

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CAS Number

548486-59-5

Form

A solid

Molecular Formula

C12H16N4O3

Molecular Weight

264.28

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ulodesine

Ulodesine has been used in trials studying the treatment of Gout, Arthritis, Hyperuricemia, and Joint Disease.

CAS Number	548486-59-5
PubChem CID	135449518
IUPAC Name	7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Formula	C12H16N4O3
Molecular Weight	264.28
XLogP	-1.1
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	389

SMILES

C1[C@@H]([C@H](CN1CC2=CNC3=C2N=CNC3=O)O)CO

InChI

InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1

InChIKey

AFNHHLILYQEHKK-BDAKNGLRSA-N

Chemical Structure

2D Structure

CAS: 548486-59-5

CID: 135449518

Formula: C12H16N4O3

MW: 264.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.28
XLogP3	-1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	264.12224039
Monoisotopic Mass	264.12224039
Topological Polar Surface Area	101 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
MBS5810403	Ulodesine
T202983-01	Ulodesine succinate anhydrous