Acefylline

Catalog Number: BC-0193

CAS Number: 652-37-9

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Specifications

Product Information
Molecular Formula	C₉H₁₀N₄O₄
Molecular Weight	238.2
Purity	≥ 98%
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
InChi	InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChi Key	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
Alternate Name	Theophylline-7-acetic acid; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; 7-(Carboxymethyl)theophylline; (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid; 2-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid; 1,3-Dimethylxanthine-7-acetic acid; 2-(1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetic acid
Appearance	White to off-white powder

Properties
Storage Conditions	-20ºC
Shipping Conditions	Gel Pack
Solubility	~33 mg/ml in DMSO (may need ultrasonication)

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