Nafpenzol D.C.
[CAS# 80186-84-1]

Identification

• Name: Nafpenzol D.C.
• Synonyms: Nafpenzol D.C.
• Molecular Formula: C₇₁H₁₀₀N₁₃NaO₂₃S₂
• Molecular Weight: 1590.75
• CAS Registry Number: 80186-84-1
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(O)=O)(C)C.[C@H]45SC([C@@H](N4C(=O)[C@H]5NC(=O)C6=C(OCC)C=CC7=CC=CC=C67)C([O-])=O)(C)C.[C@@]%10(O)([C@@H](O[C@@H]8O[C@H]([C@H](O)[C@@H](O)[C@@H]8NC)CO)[C@H](O[C@@H]9[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]9O)O[C@H]%10C)CO.[Na+].C(N(CC)CC)COC(=O)C%11=CC=C(N)C=C%11
• InChI: 1S/C21H41N7O12.C21H22N2O5S.C16H18N2O4S.C13H20N2O2.Na/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;/q;;;;+1/p-1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;15-,16+,19-;11-,12+,14-;;/m011../s1
• InChIKey: HQZAGHOKHNFVRM-LLSBFPCGSA-M

Properties

• Boiling point: 954.5°C at 760 mmHg (Cal.)
• Flash point: 531.1°C (Cal.)