biological source

synthetic (organic)

Quality Level

100

grade

analytical standard

Assay

≥90.0%

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

color

yellow to orange

mp

240-250 °C

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

SMILES string

[Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13

InChI

1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1

InChI key

KVUAALJSMIVURS-ZEDZUCNESA-L