Chemistry:Zolertine

Zolertine

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
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

Tracking categories (test):

• SizeSet

Zolertine is an alpha-1 adrenoceptor antagonist.