[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-(Amino-Hydroxy-Methylidene)-4a,6,7,12-Tetrahydroxy-11-Methyl-2,4,5-Trioxo-11,11a,12,12alpha-Tetrahydro-1H-Tetracen-1-Yl]-Dimethyl-Azanium Chloride
[CAS 61281-03-6]

Identification

• Name: [(1S,3Z,4aS,11R,11aR,12S,12aR)-3-(Amino-Hydroxy-Methylidene)-4a,6,7,12-Tetrahydroxy-11-Methyl-2,4,5-Trioxo-11,11a,12,12alpha-Tetrahydro-1H-Tetracen-1-Yl]-Dimethyl-Azanium Chloride
• Synonyms: [(1S,3Z,4As,11R,11Ar,12S,12Ar)-3-(Amino-Hydroxy-Methylene)-4A,6,7,12-Tetrahydroxy-11-Methyl-2,4,5-Trioxo-11,11A,12,12A-Tetrahydro-1H-Tetracen-1-Yl]-Dimethyl-Ammonium Chloride; [(1S,3Z,4As,11R,11Ar,12S,12Ar)-3-(Amino-Hydroxymethylene)-4A,6,7,12-Tetrahydroxy-11-Methyl-2,4,5-Trioxo-11,11A,12,12A-Tetrahydro-1H-Tetracen-1-Yl]-Dimethylammonium Chloride; [(1S,3Z,4As,11R,11Ar,12S,12Ar)-3-(Amino-Hydroxy-Methylene)-4A,6,7,12-Tetrahydroxy-2,4,5-Triketo-11-Methyl-11,11A,12,12A-Tetrahydro-1H-Tetracen-1-Yl]-Dimethyl-Ammonium Chloride
• Molecular Formula: C₂₂H₂₅ClN₂O₈
• Molecular Weight: 480.90
• CAS Registry Number: 61281-03-6
• SMILES: [C@@H]23[C@@H](O)[C@@H]1[C@H](C4=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3[NH+](C)C)=C(/O)N)O)C(=CC=C4)O)C.[Cl-]
• InChI: 1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H/b21-13-;/t7-,10+,14+,15-,17-,22-;/m0./s1
• InChIKey: VLUQVUWDECWBTL-UQVCFKGQSA-N

Properties

• Boiling point: 685.2°C at 760 mmHg (Cal.)
• Flash point: 368.2°C (Cal.)