8-Chlorotheophylline

Description

8-Chlorotheophylline · CAS 85-18-7 · C7H7ClN4O2. UNII GE2UA340FM. LogP: 0.86.

Identification

CAS Registry Number	85-18-7
PubChem CID	10661
Molecular formula	C7H7ClN4O2
IUPAC name	8-chloro-1,3-dimethyl-7H-purine-2,6-dione
UNII (FDA)	GE2UA340FM

Computed Descriptors

Molecular Weight	214.61
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	214.0257532
Monoisotopic Mass	214.0257532
Topological Polar Surface Area	69.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

LogP	0.86

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• When used in combination with [DB01075] as the antiemetic [DB00985], 8-chlorotheophylline is indicated for the prevention and treatment of nausea, vomiting, or vertigo of motion sickness.
• 8-Chlorotheophylline (Class: Stimulants, Added Date: 06-2010)
• 8-chlorotheophylline produces a number of effects including nervousness, restlessness, insomnia, headache, and nausea, which are primarily attributed to its ability to block the adenosine receptor. Because adenosine causes a decrease in neuronal firing, blockade of the adenosine receptor causes the reverse effect resulting in excitation.

Synonyms

8-Chlorotheophylline; 85-18-7; 1,3-Dimethyl-8-chloroxanthine; chlortheophylline; chlorotheophylline; 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; GE2UA340FM; NSC-6113; DTXSID5043764; CHEBI:59771; S8CT; RefChem:107031; sodium-8-chlorotheophylline; DTXCID3023764; 201-590-4

Frequently Asked Questions

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

CAS 85-18-7; molecular formula C7H7ClN4O2; molecular weight — g/mol.

What other names is 8-Chlorotheophylline known by?

8-Chlorotheophylline, 85-18-7, 1,3-Dimethyl-8-chloroxanthine, chlortheophylline, chlorotheophylline, 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione.

Is 8-Chlorotheophylline classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 8-Chlorotheophylline?

LogP: 0.86.

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.