Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate

Catalog Number

ACM38953161

Product Name

Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate

Structure

CAS

38953-16-1

Category

Heterocyclic Organic Compound

Synonyms

Magnesium 7-theophyllineacetate, EINECS 254-216-7, Theophylline 7 acetate de magnesium, CID170349, Theophylline 7 acetate de magnesium [French], LS-126453, Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-1-purine-7-acetate, Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate, 7H-1-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, magnesium salt, 38953-16-1

IUPAC Name

magnesium 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate

Molecular Weight

498.689320 [g/mol]

Molecular Formula

C18H18MgN8O8

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].[Mg+2]

InChI Key

TYERUTUVDKNUGR-UHFFFAOYSA-L

Boiling Point

555.7ºC at 760 mmHg

Flash Point

289.9ºC

EC Number

254-216-7

Exact Mass

498.11000

H-Bond Acceptor

10

H-Bond Donor

0

MSDS

COA

Spec Sheet