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C9H12N5NaO4CAS 8000-10-0277.22 g/mol

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NONNHNOH2NO−ONa+
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H12N5NaO4
Molar mass
277.22 g/mol
Exact mass
277.0787 Da
Density
1.05 g/mL (at 20 °C)
logP
-2.39Crippen estimate
Polar surface area
136.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
8000-10-0
SMILES
Cn1c(=O)c2nc[nH]c2n(C)c1=O.NCC([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

9 names
  • Glycine, mixt. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt (1:1)
  • Glycine, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, sodium salt, mixt. contg.
  • Theophylline sodium glycinate
  • Glycin theophyllinate
  • Bronchoparat
  • Panophylline
  • Pemophyllin
  • Glytheonate

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Dimethylxanthine monohydrate5967-84-0Hydrate Glycine56-40-6Free acid Theophylline58-55-9Free base Copper(II) glycinate13479-54-4Salt Magnesium glycinate14783-68-7Salt Oxtriphylline4499-40-5Salt (T-4)-(Glycinato-κN,κO)dihydroxyaluminum13682-92-3Salt Ferrous glycinate20150-34-9Salt Zinc glycinate14281-83-5Salt Glycine hydrochloride6000-43-7Salt Glycine sodium6000-44-8Salt Calcium glycinate35947-07-0Salt

Similar compounds

Aminophylline317-34-066 % similar IBMX28822-58-447 % similar 3,9-Dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione2879-15-438 % similar 8-Chlorotheophylline85-18-737 % similar 1,3-Dimethyluric acid944-73-036 % similar 3-Methylxanthine1076-22-836 % similar 1-Methylxanthine6136-37-436 % similar 8-(Dimethylamino)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione5426-47-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ganciclovir sodium107910-75-8

Elsewhere

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