CAS
83725-05-7 Purity
96%
83725-05-7 Purity
96%
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Sodium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
CAS
837-27-4
Catalog Number
ACM837274
Category
Other Products
Molecular Weight
238.200100 [g/mol]
Molecular Formula
C9H10N4O4Na
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Specification
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
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
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