Cetocycline Hydrochloride
[CAS# 53274-41-2]

Identification

• Name: Cetocycline Hydrochloride
• Synonyms: (1R,4Ar,12As)-3-Acetyl-1-Amino-4,4A,6,7-Tetrahydroxy-8,11-Dimethyl-12,12A-Dihydro-1H-Tetracene-2,5-Quinone Hydrochloride; (1R,4Ar,12As)-1-Amino-3-Ethanoyl-4,4A,6,7-Tetrahydroxy-8,11-Dimethyl-12,12A-Dihydro-1H-Tetracene-2,5-Dione Hydrochloride; D03451
• Molecular Formula: C₂₂H₂₂ClNO₇
• Molecular Weight: 447.87
• CAS Registry Number: 53274-41-2
• SMILES: [C@H]14[C@](O)(C(=O)C2=C(C1)C(=C3C(=C2O)C(=C(C=C3)C)O)C)C(=C(C(=O)[C@@H]4N)C(=O)C)O.[H+].[Cl-]
• InChI: 1S/C22H21NO7.ClH/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25;/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3;1H/t12-,16+,22+;/m0./s1
• InChIKey: PPJJEMJYGGEVPV-JKPGXYSKSA-N

Properties

• Boiling point: 673.4°C at 760 mmHg (Cal.)
• Flash point: 361.1°C (Cal.)