Theobromine

CARDIOVASCULAR SYSTEM

Key facts

Theobromine is a drug catalogued in DrugCentral.

• ATC code: C03BD01 (Xanthine derivatives).
• Molecular formula: C7H8N4O2; molecular weight 180.17 g/mol.

ATC classification

ATC code	Therapeutic hierarchy
C03BD01	CARDIOVASCULAR SYSTEM › DIURETICS › LOW-CEILING DIURETICS, EXCL. THIAZIDES › Xanthine derivatives
R03DA07	RESPIRATORY SYSTEM › DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES › OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES › Xanthines
R03DA57	RESPIRATORY SYSTEM › DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES › OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES › Xanthines

Reported adverse-event signals

Strongest FDA FAERS disproportionality signals (log-likelihood ratio). A signal is a statistical association in spontaneous reports, not proof that the drug causes the event.

MedDRA term	LLR
Adulterated product	280.6
Accidental death	206.0
Toxicity to various agents	157.0
Drug interaction	78.9

Chemical structure

Full physicochemical, ADMET and 3D-structure analysis of Theobromine is on its molecule page.

• Molecular formula: C₇H₈N₄O₂
• Molecular weight: 180.17 g/mol
• CAS number: 83-67-0
• InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
• PubChem CID: 5429

CN1C=NC2=C1C(=O)NC(=O)N2C

Frequently asked questions

Answers are generated from the structured data on this page, not written by hand.

What is the chemical formula of Theobromine?

Theobromine has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol.

Sources

• DrugCentral drug card 2618 — structure, indications, targets, approvals, pharmacologic classes (CC BY-SA 4.0)
• ChEMBL CHEMBL1114 — compound record and bioactivity
• PubChem CID 5429 — chemical identifiers
• DrugBank DB01412 — drug record
• FDA UNII OBD445WZ5P — substance identity
• FDA Adverse Event Reporting System (openFDA FAERS) — adverse-event signals, as aggregated by DrugCentral

How this page is built: methodology · editorial policy & corrections.