1,7-二甲基尿酸

Description

1,7-dimethyluric acid · CAS 33868-03-0 · C7H8N4O3. UNII Z633Z7KAJU. LogP: -0.22.

Identification

CAS Registry Number	33868-03-0
PubChem CID	91611
Molecular formula	C7H8N4O3
IUPAC name	1,7-dimethyl-3,9-dihydropurine-2,6,8-trione
UNII (FDA)	Z633Z7KAJU

Computed Descriptors

Molecular Weight	196.16
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	196.05964013
Monoisotopic Mass	196.05964013
Topological Polar Surface Area	81.8
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

LogP	-0.22

Physical description & handling notes

• Solid
• 134.06 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Documented Uses

• 1,7-Dimethyluric acid is a known human metabolite of paraxanthine.

Synonyms

1,7-Dimethyluric acid; 33868-03-0; 7,9-Dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione; 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione; Z633Z7KAJU; DTXSID30187499; CHEBI:68449; 1,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; RefChem:907057; DTXCID90109990; 251-706-2; 1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione; MFCD00005713; 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,7-dimethyl-; UNII-Z633Z7KAJU; NOFNCLGCUJJPKU-UHFFFAOYSA-N

Frequently Asked Questions

What are the CAS number and molecular formula of 1,7-dimethyluric acid?

CAS 33868-03-0; molecular formula C7H8N4O3; molecular weight — g/mol.

What other names is 1,7-dimethyluric acid known by?

1,7-Dimethyluric acid, 33868-03-0, 7,9-Dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione, 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione, Z633Z7KAJU, DTXSID30187499.

What are the key physical properties of 1,7-dimethyluric acid?

LogP: -0.22.

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.