4-(N-2-Chloroethyl-N-Methylamino)-Benzylphosphamide Hexauridylate
[CAS# 83210-83-7]

Identification

• Name: 4-(N-2-Chloroethyl-N-Methylamino)-Benzylphosphamide Hexauridylate
• Synonyms: 4-(N-2-Chloroethyl-N-Methylamino)-Benzylphosphamide Hexauridylate; Clrch2nhp(Pu)6; Uridine, Uridylyl-(5'-3')-Uridylyl-(5'-3')-Uridylyl-(5'-3')-Uridylyl-(5'-3')-Uridylyl-(5'-3')-, 5'-(Hydrogen ((4-((2-Chloroethyl)Methylamino)Phenyl)Methyl)Phosphoramidate)
• Molecular Formula: C₆₄H₈₁ClN₁₄O₄₈P₆
• Molecular Weight: 2035.70
• CAS Registry Number: 83210-83-7
• SMILES: [C@H]7(O[P](OC[C@H]2O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O[P](OC[C@H]4O[C@@H](N3C(=O)NC(=O)C=C3)[C@H](O)[C@@H]4O[P](OC[C@H]6O[C@@H](N5C(=O)NC(=O)C=C5)[C@H](O)[C@@H]6O)(=O)O)(=O)O)(=O)O)[C@@H](O)[C@@H](O[C@@H]7CO[P](O[C@H]8[C@@H](O)[C@@H](O[C@@H]8CO[P](O[C@H]9[C@@H](O)[C@@H](O[C@@H]9CO[P](=O)(O)NCC%10=CC=C(N(CCCl)C)C=C%10)N%11C(=O)NC(=O)C=C%11)(=O)O)N%12C(=O)NC(=O)C=C%12)(=O)O)N%13C(=O)NC(=O)C=C%13
• InChI: 1S/C64H81ClN14O48P6/c1-73(19-12-65)28-4-2-27(3-5-28)20-66-128(99,100)111-22-30-48(43(88)54(118-30)75-14-7-36(81)68-60(75)94)123-130(103,104)113-24-32-50(45(90)56(120-32)77-16-9-38(83)70-62(77)96)125-132(107,108)115-26-34-52(47(92)58(122-34)79-18-11-40(85)72-64(79)98)127-133(109,110)116-25-33-51(46(91)57(121-33)78-17-10-39(84)71-63(78)97)126-131(105,106)114-23-31-49(44(89)55(119-31)76-15-8-37(82)69-61(76)95)124-129(101,102)112-21-29-41(86)42(87)53(117-29)74-13-6-35(80)67-59(74)93/h2-11,13-18,29-34,41-58,86-92H,12,19-26H2,1H3,(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H2,66,99,100)(H,67,80,93)(H,68,81,94)(H,69,82,95)(H,70,83,96)(H,71,84,97)(H,72,85,98)/t29-,30-,31-,32-,33-,34-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m1/s1
• InChIKey: CUWBUGWIGALIAH-GSUROWPYSA-N