Paraxanthine

Paraxanthine
	Skeletal formula of paraxanthine
Names
	IUPAC name 1,7-Dimethyl-3H-purine-2,6-dione
	Other names Paraxanthine, ; 1,7-Dimethylxanthine
Identifiers
CAS Number	611-59-6 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:25858 ;
ChEMBL	ChEMBL1158 ;
ChemSpider	4525 ;
ECHA InfoCard	100.009.339
PubChem CID	4687;
UNII	Q3565Y41V7 ;
CompTox Dashboard (EPA)	DTXSID2052281 ;
	InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) Key: QUNWUDVFRNGTCO-UHFFFAOYSA-N ; InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) Key: QUNWUDVFRNGTCO-UHFFFAOYAS;
	SMILES O=C2Nc1ncn(c1C(=O)N2C)C;
Properties
Chemical formula	C7H8N4O2
Molar mass	180.167 g·mol−1
Melting point	351 to 352 °C (664 to 666 °F; 624 to 625 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Paraxanthine, also known as 1,7-dimethylxanthine, is an isomer of theophylline and theobromine, two well-known stimulants found in coffee, tea, and chocolate mainly in the form of caffeine. It is a member of the xanthine family of alkaloids, which includes theophylline, theobromine and caffeine.

Names
Skeletal formula of paraxanthine

IUPAC name 1,7-Dimethyl-3H-purine-2,6-dione
Other names Paraxanthine, 1,7-Dimethylxanthine
Identifiers
CAS Number	611-59-6^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:25858^Y
ChEMBL	ChEMBL1158^Y
ChemSpider	4525^Y
ECHA InfoCard	100.009.339
PubChem CID	4687
UNII	Q3565Y41V7^Y
CompTox Dashboard (EPA)	DTXSID2052281
InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)^Y Key: QUNWUDVFRNGTCO-UHFFFAOYSA-N^Y InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) Key: QUNWUDVFRNGTCO-UHFFFAOYAS
SMILES O=C2Nc1ncn(c1C(=O)N2C)C
Properties
Chemical formula	C₇H₈N₄O₂
Molar mass	180.167 g·mol⁻¹
Melting point	351 to 352 °C (664 to 666 °F; 624 to 625 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

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Paraxanthine

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