8-bromotheophylline

Description

8-bromotheophylline · CAS 10381-75-6 · C7H7BrN4O2. UNII FZG87K1MQ6. Melting Point: 295-316 ºC; Dissociation Constants: 5.45.

Identification

CAS Registry Number	10381-75-6
PubChem CID	11808
Molecular formula	C7H7BrN4O2
IUPAC name	8-bromo-1,3-dimethyl-7H-purine-2,6-dione
UNII (FDA)	FZG87K1MQ6

Computed Descriptors

Molecular Weight	259.06
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	257.97524
Monoisotopic Mass	257.97524
Topological Polar Surface Area	69.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	295-316 ºC
Dissociation Constants	5.45

Physical description & handling notes

• Decomposes at 300 ºC
• Soluble

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-: INACTIVE
• Bromotheophylline is used as a diuretic and also, in combination with [DB00316], it is used for the relief of temporary water weight gain, bloating, swelling and full feeling associated with the premenstrual and menstrual periods.
• Drink plenty of fluids. Avoid dehydration by drinking 6-8 glasses of water daily.
• Take with a full glass of water.
• When administered after one single oral dosage, bromotheophylline is rapidly absorbed and it reaches a maximal plasma concentration of 2.5 mg/L in 0.78 hours. The mean residence time is registered to be of 12 hours with an AUC in the first 8 hours of 27 mg.h/L.
• This pharmacokinetic property has not been determined.

Synonyms

Bromotheophylline; Theophylline, 8-bromo-; 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-; UNII-FZG87K1MQ6; FZG87K1MQ6; EINECS 233-846-6; NSC 164940; NSC-164940; 8-BROMOTHEOPHYLLINE (USP-RS); 8-BROMOTHEOPHYLLINE [USP-RS]; RefChem:57929; 8-Bromotheophylline; 10381-75-6; 8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione; 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; C7H7BrN4O2

Frequently Asked Questions

What are the CAS number and molecular formula of 8-bromotheophylline?

CAS 10381-75-6; molecular formula C7H7BrN4O2; molecular weight — g/mol.

What other names is 8-bromotheophylline known by?

Bromotheophylline, Theophylline, 8-bromo-, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-, UNII-FZG87K1MQ6, FZG87K1MQ6, EINECS 233-846-6.

Is 8-bromotheophylline classified as hazardous?

Hazard statements reported: H302, H315, H319, H335.

What are the key physical properties of 8-bromotheophylline?

Melting Point: 295-316 ºC; Dissociation Constants: 5.45.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.