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Structure

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

CAS
38953-16-1
Catalog Number
ACM38953161
Category
Other Products
Molecular Weight
498.689320 [g/mol]
Molecular Formula
C18H18MgN8O8

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Specification

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
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
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