1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl

Modify Date: 2025-08-25 10:14:10

1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl structure	Common Name	1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl
	CAS Number	830-65-9	Molecular Weight	194.19100
	Density	1.395g/cm3	Boiling Point	464.9ºC at 760 mmHg
	Molecular Formula	C₈H₁₀N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	234.9ºC

Name	1H-Purine-2,6-dione, 3,9-dihydro-1,3,8-trimethyl
Synonym	More Synonyms

Density	1.395g/cm3
Boiling Point	464.9ºC at 760 mmHg
Molecular Formula	C₈H₁₀N₄O₂
Molecular Weight	194.19100
Flash Point	234.9ºC
Exact Mass	194.08000
PSA	72.68000
Index of Refraction	1.605
InChIKey	WZBKGWBHAPBSBF-UHFFFAOYSA-N
SMILES	Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6030000

CHEMICAL NAME :: Theophylline, 8-methyl-

CAS REGISTRY NUMBER :: 830-65-9

LAST UPDATED :: 199206

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H10-N4-O2

MOLECULAR WEIGHT :: 194.22

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

HS Code	2933990090

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Name: Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on ra...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL640787

Name: Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat brain membrane...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL646350

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Name: Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (eli...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL641986

Name: Ratio of antagonism at A2 versus A1 receptors (Ki values)
Source: ChEMBL
Target: N/A
External Id: CHEMBL845656

Name: Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as ...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL646021

Total 7, Current Page 1 of 1

8-Methyltheophyline

3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione

8-(methyl)theophylline

1,3,8-Trimethyl-3,7-dihydro-purin-2,6-dion

1,3,8-trimethyl-3,7(9)-dihydro-purine-2,6-dione

1,3,8-trimethylxanthine

1,3,8-trimethyl-3,7-dihydro-purine-2,6-dione

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Product Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl-
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Purity: 98.0%
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1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Customs

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.