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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP088037

Theobromine

Formula: C7H8N4O2  |  Mol. Weight: 180.16 g/mol

IUPAC: 3,7-dimethylpurine-2,6-dione

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Overview

Molecular Formula C7H8N4O2
Molecular Weight 180.16 g/mol
Canonical SMILES CN1C=NC2=C1C(=O)NC(=O)N2C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations