7(O)-(3-Amino-2,3,6-Trideoxy-2-Fluorotalopyranosyl)Adriamycinone hydrochloride
[CAS# 119288-23-2]

Identification

• Name: 7(O)-(3-Amino-2,3,6-Trideoxy-2-Fluorotalopyranosyl)Adriamycinone hydrochloride
• Synonyms: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-Amino-3-Fluoro-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₂₉ClFNO₁₁
• Molecular Weight: 597.98
• CAS Registry Number: 119288-23-2
• SMILES: [C@H]2(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)[C@H]1F)C)C[C@@](O)(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)CO.[H+].[Cl-]
• InChI: 1S/C27H28FNO11.ClH/c1-9-21(32)20(29)19(28)26(39-9)40-13-7-27(37,14(31)8-30)6-11-16(13)25(36)18-17(23(11)34)22(33)10-4-3-5-12(38-2)15(10)24(18)35;/h3-5,9,13,19-21,26,30,32,34,36-37H,6-8,29H2,1-2H3;1H/t9-,13-,19+,20-,21+,26-,27-;/m0./s1
• InChIKey: LVKDCZXXBAOPQZ-KFDLDNLPSA-N

Properties

• Boiling point: 812.1°C at 760 mmHg (Cal.)
• Flash point: 445°C (Cal.)