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Chemical structure of Theophylline hydrate

GB62315

Theophylline hydrate

Also known as 1,3-dimethyl-7H-purine-2,6-dione;hydrate

Theophylline is a methyl xanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities

ChemicalCAS5967-84-0MW198.18FormulaC7H10N4O3
CAS number
5967-84-0
Molecular weight
198.18
Formula
C7H10N4O3
Solubility
Soluble in DMSO
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
Catalogue number
GB62315
Brand
GLPBIO
Computed properties PubChem CID 91268 · TPSA 70.3 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
70.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2.O

Computed descriptors from PubChem (CID 91268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.