2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,(4S,4aS,5aR,12aS)- (808-26-4)

The Sancycline, with the CAS registry number 808-26-4, is also known as (4S,4aS,5aR,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₁H₂₂N₂O₇ and molecular weight is 414.41. What's more, both its IUPAC name and systematic name are the same which is called (4S,4aS,5aR,12aS)-4-(Dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide. This chemical's classification code is antibacterial which is yellow solid. It can be used as semi-synthetic antibiotic related to tetracycline.

Physical properties about Sancycline are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 9; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 161.39 Å²; (10)Index of Refraction: 1.734; (11)Molar Refractivity: 102.91 cm³; (12)Molar Volume: 256.5 cm³; (13)Surface Tension: 95.9 dyne/cm; (14)Density: 1.61 g/cm³; (15)Flash Point: 407.9 °C; (16)Melting Point: 224-228 °C (dec); (17)Enthalpy of Vaporization: 114.84 kJ/mol; (18)Boiling Point: 750.9 °C at 760 mmHg; (19)Vapour Pressure: 1.09E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)[C@@H]1C(\O)=C(\C(N)=O)C(=O)[C@@]2(O)C(/O)=C3/C(=O)c4c(C[C@H]3C[C@@H]12)cccc4O
(2)InChI: InChI=1/C21H22N2O7/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29/h3-5,9-10,15,24,26-27,30H,6-7H2,1-2H3,(H2,22,29)/t9-,10-,15-,21-/m0/s1
(3)InChIKey: XDVCLKFLRAWGIT-ADOAZJKMBL