11-Amino-3-glycoloyl-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside hydrochloride (1:1)
[CAS# 77331-69-2]

Identification

• Name: 11-Amino-3-glycoloyl-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside hydrochloride (1:1)
• Synonyms: 11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride; 5-Iminodoxorubicin; 5-Iminodoxorubicin hydrochloride
• Molecular Formula: C₂₇H₃₁ClN₂O₁₀
• Molecular Weight: 579.00
• CAS Registry Number: 77331-69-2
• SMILES: Cl.O=C1\C5=C(/C(=O)c3c1c(N)c2c(OC)cccc2c3O)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(N)C4)C
• InChI: 1S/C27H30N2O10.ClH/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29;/h3-5,10,13,15,17,23,30,32-33,36H,6-9,28-29H2,1-2H3;1H
• InChIKey: MFCAJQXJIWXLFB-UHFFFAOYSA-N

Properties

• Boiling point: 907.6°C at 760 mmHg (Cal.)
• Flash point: 502.7°C (Cal.)