H6006

7-(β-Hydroxypropyl)theophylline

• Synonym(s): (1,3-Dimethyl-7-[2-hydroxypropyl]-2,6-dioxopurine), Proxyphylline
• Empirical Formula (Hill Notation): C₁₀H₁₄N₄O₃
• CAS Number: 603-00-9
• Molecular Weight: 238.24
• EC Number: 210-028-7
• MDL number: MFCD00022833
• UNSPSC Code: 41106305

Properties

• SMILES string: CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12
• InChI: 1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3
• InChI key: KYHQZNGJUGFTGR-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves