Analyte Name

N-nitroso Mitoxantrone

CAS Number

3080808-23-4

Molecular Formula

C22H27N5O7

Molecular Weight

473.49

Accurate Mass

473.19

SMILES

O=NN(CCNC(C=CC(NCCNCCO)=C1C(C2=C3C(O)=CC=C2O)=O)=C1C3=O)CCO

InChI

InChI=1S/C22H27N5O7/c28-11-8-23-5-6-24-13-1-2-14(25-7-9-27(26-34)10-12-29)18-17(13)21(32)19-15(30)3-4-16(31)20(19)22(18)33/h1-4,23-25,28-31H,5-12H2

IUPAC

N-(2-((5,8-dihydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)ethyl)-N-(2-hydroxyethyl)nitrous Amide

Country of Origin

CANADA

Product Format

Neat