Etofylline nicotinate

Etofylline nicotinate
Clinical data
ATC code	C04AD04 (WHO) ;
Identifiers
	IUPAC name 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate;
CAS Number	13425-39-3;
PubChem CID	83435;
ChemSpider	75285;
UNII	SN6D1V68DL;
CompTox Dashboard (EPA)	DTXSID30158609 ;
ECHA InfoCard	100.033.208
Chemical and physical data
Formula	C15H15N5O4
Molar mass	329.316 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)c3cccnc3;
	InChI InChI=1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3; Key:ZWIAODBBEZGVPY-UHFFFAOYSA-N;
	(verify)

Etofylline nicotinate is a vasodilator.^[1]

References

^ Vilar S, Quezada E, Alcaide C, Orallo F, Santana L, Uriarte E (9 March 2007). "Quantitative Structure Vasodilatory Activity Relationship – Synthesis and "In Silico" and "In Vitro" Evaluation of Resveratrol-Coumarin Hybrids". QSAR & Combinatorial Science. 26 (3): 317–332. doi:10.1002/qsar.200630006.

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Clinical data

ATC code	C04AD04 (WHO)
Identifiers
IUPAC name 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate
CAS Number	13425-39-3
PubChem CID	83435
ChemSpider	75285
UNII	SN6D1V68DL
CompTox Dashboard (EPA)	DTXSID30158609
ECHA InfoCard	100.033.208
Chemical and physical data
Formula	C₁₅H₁₅N₅O₄
Molar mass	329.316 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)c3cccnc3
InChI InChI=1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3 Key:ZWIAODBBEZGVPY-UHFFFAOYSA-N
(verify)