3-(2-Chloroethyl)-N-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
[CAS# 85622-96-4]

Identification

• Name: 3-(2-Chloroethyl)-N-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
• Synonyms: 3-(2-Chloro-ethyl)-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid methylamide; 8-(N-Methyl)mitozolomide
• Molecular Formula: C₈H₉ClN₆O₂
• Molecular Weight: 256.65
• CAS Registry Number: 85622-96-4
• SMILES: CNC(=O)C1=C2N=NN(C(=O)N2C=N1)CCCl
• InChI: 1S/C8H9ClN6O2/c1-10-7(16)5-6-12-13-15(3-2-9)8(17)14(6)4-11-5/h4H,2-3H2,1H3,(H,10,16)
• InChIKey: ZIBAAYKCNSFPRL-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)