Carubicin Hydrochloride
[CAS# 52794-97-5]

Identification

• Name: Carubicin Hydrochloride
• Synonyms: (7S,9S)-9-Acetyl-7-[(4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[[(4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[(4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₆H₂₈ClNO₁₀
• Molecular Weight: 549.96
• CAS Registry Number: 52794-97-5
• SMILES: [C@H]2(OC1O[C@H]([C@@H](O)[C@@H](N)C1)C)C[C@@](O)(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C26H27NO10.ClH/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33;/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3;1H/t9-,13-,15-,16?,21+,26-;/m0./s1
• InChIKey: WYVYEIZFAUXWKW-ZAAMYGLKSA-N

Properties

• Boiling point: 750.6°C at 760 mmHg (Cal.)
• Flash point: 407.7°C (Cal.)