(2Z,4S,4aR,5S,5aR,6R,12aS)-2-(Amino-Hydroxymethylidene)-6-(3-Chloropropylsulfanylmethyl)-4-Dimethylamino-5,10,11,12a-Tetrahydroxy-4a,5,5a,6-Tetrahydro-4H-Tetracene-1,3,12-Trione
[CAS# 146253-86-3]

Identification

• Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-(Amino-Hydroxymethylidene)-6-(3-Chloropropylsulfanylmethyl)-4-Dimethylamino-5,10,11,12a-Tetrahydroxy-4a,5,5a,6-Tetrahydro-4H-Tetracene-1,3,12-Trione
• Synonyms: (2Z,4S,4Ar,5S,5Ar,6R,12As)-2-(Amino-Hydroxy-Methylene)-6-(3-Chloropropylsulfanylmethyl)-4-Dimethylamino-5,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4Ar,5S,5Ar,6R,12As)-2-(Amino-Hydroxymethylene)-6-[(3-Chloropropylthio)Methyl]-4-Dimethylamino-5,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (2Z,4S,4Ar,5S,5Ar,6R,12As)-2-(Amino-Hydroxy-Methylene)-6-[(3-Chloropropylthio)Methyl]-4-Dimethylamino-5,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione
• Molecular Formula: C₂₅H₂₉ClN₂O₈S
• Molecular Weight: 553.03
• CAS Registry Number: 146253-86-3
• 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]3N(C)C)=C(/O)N)O)C(=CC=C4)O)CSCCCCl
• InChI: 1S/C25H29ClN2O8S/c1-28(2)18-17-20(31)14-11(9-37-8-4-7-26)10-5-3-6-12(29)13(10)19(30)15(14)22(33)25(17,36)23(34)16(21(18)32)24(27)35/h3,5-6,11,14,17-18,20,29-31,35-36H,4,7-9,27H2,1-2H3/b24-16-/t11-,14+,17+,18-,20-,25-/m0/s1
• InChIKey: VJZMAKXIDBLLTK-WCKBWHMJSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 773.426°C at 760 mmHg (Cal.)
• Flash point: 421.553°C (Cal.)