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

Catalog Number

ACM837274

Product Name

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

Structure

CAS

837-27-4

Category

Heterocyclic Organic Compound

Synonyms

Acefylline, Acephylline, Theophylline-7-acetic acid, Theophyllineacetic acid, 7-Theophyllinessigsaeure, 7-Theophyllinylessigsaeure, 7-Theophyllinylacetic acid, Theophylline-acetic acid, 7-(Carboxymethyl)theophylline, Theophyllin-7-ylacetic acid, 7-Theophyllineacetic acid, Oprea1_398884, 88310_FLUKA, C9H10N4O4, EINECS 211-490-2, NSC 52996, CID69550, NSC52996, 1,3-Dimethylxanthine-7-acetic acid, BRN 0279221

IUPAC Name

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

Molecular Weight

238.200100 [g/mol]

Molecular Formula

C9H10N4O4Na

Canonical SMILES

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

InChI Key

HCYFGRCYSCXKNQ-UHFFFAOYSA-N

EC Number

212-652-5

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet