5-[(2-Aminoethyl)Amino]-2-[2-(Diethylamino)Ethyl]-2H-Thiochromeno[4,3,2-Cd]Indazol-8-Ol Trihydrochloride
[CAS# 119221-49-7]

Identification

• Name: 5-[(2-Aminoethyl)Amino]-2-[2-(Diethylamino)Ethyl]-2H-Thiochromeno[4,3,2-Cd]Indazol-8-Ol Trihydrochloride
• Synonyms: Sedoxantrone Trihydrochloride; CI 958
• Molecular Formula: C₂₁H₃₀Cl₃N₅OS
• Molecular Weight: 506.92
• CAS Registry Number: 119221-49-7
• SMILES: Cl.Cl.Cl.CCN(CC)CCn4nc1c3c4ccc(NCCN)c3Sc2cc(O)ccc12
• InChI: 1S/C21H27N5OS.3ClH/c1-3-25(4-2)11-12-26-17-8-7-16(23-10-9-22)21-19(17)20(24-26)15-6-5-14(27)13-18(15)28-21;;;/h5-8,13,23,27H,3-4,9-12,22H2,1-2H3;3*1H
• InChIKey: RNZAEKUSZHXFMR-UHFFFAOYSA-N

Properties

• Boiling point: 696.5°C at 760 mmHg (Cal.)
• Flash point: 375°C (Cal.)
• Refractive index: (Cal.)