Zolertine

Zolertine
Names
	IUPAC name 1-Phenyl-4-[2-(tetrazol-5-yl)ethyl]piperazine
Identifiers
CAS Number	4004-94-8 ;
3D model (JSmol)	Interactive image;
ChemSpider	22131;
PubChem CID	23669;
UNII	EMD433OT6A ;
CompTox Dashboard (EPA)	DTXSID70863301 ;
	InChI InChI=1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17) Key: XTTHMUYLNLEJRS-UHFFFAOYSA-N; InChI=1/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17) Key: XTTHMUYLNLEJRS-UHFFFAOYAE;
	SMILES C1CN(CCN1CCC2=NNN=N2)C3=CC=CC=C3;
Properties
Chemical formula	C13H18N6
Molar mass	258.329 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Zolertine is an alpha-1 adrenoceptor antagonist.^[1]

References

^ Ibarra, M; Hong, E; Villalobos-Molina, R (2000). "The alpha-adrenoceptor antagonist, zolertine, inhibits alpha1D- and alpha1A-adrenoceptor-mediated vasoconstriction in vitro". Journal of Autonomic Pharmacology. 20 (3): 139–45. doi:10.1046/j.1365-2680.2000.00172.x. PMID 11193002.

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Names

IUPAC name 1-Phenyl-4-[2-(tetrazol-5-yl)ethyl]piperazine
Identifiers
CAS Number	4004-94-8^Y
3D model (JSmol)	Interactive image
ChemSpider	22131
PubChem CID	23669
UNII	EMD433OT6A^Y
CompTox Dashboard (EPA)	DTXSID70863301
InChI InChI=1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17) Key: XTTHMUYLNLEJRS-UHFFFAOYSA-N InChI=1/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17) Key: XTTHMUYLNLEJRS-UHFFFAOYAE
SMILES C1CN(CCN1CCC2=NNN=N2)C3=CC=CC=C3
Properties
Chemical formula	C₁₃H₁₈N₆
Molar mass	258.329 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references