Esorubicin hydrochloride
[CAS# 63521-85-7]

Identification

• Name: Esorubicin hydrochloride
• Synonyms: (7S,9S)-7-[(2S,4R,6S)-4-Amino-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-[[(2S,4R,6S)-4-Amino-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-[(2S,4R,6S)-4-Amino-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: C₂₇H₃₀ClNO₁₀
• Molecular Weight: 563.99
• CAS Registry Number: 63521-85-7
• SMILES: [C@]2(O)(C[C@H](O[C@@H]1O[C@H](C[C@@H](N)C1)C)C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)C(=O)CO.[H+].[Cl-]
• InChI: 1S/C27H29NO10.ClH/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33;/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3;1H/t11-,12+,16-,18-,27-;/m0./s1
• InChIKey: RCFNNLSZHVHCEK-YGCMNLPTSA-N

Properties

• Boiling point: 765.8°C at 760 mmHg (Cal.)
• Flash point: 416.9°C (Cal.)