N-(N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-epsilon-aminohexanoyl)sphingosylphosphorylcholine
[CAS# 94885-04-8]

Identification

• Name: N-(N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-epsilon-aminohexanoyl)sphingosylphosphorylcholine
• Synonyms: [(E,2S,3R)-3-Hydroxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoylamino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-3-Hydroxy-2-[[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxohexyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethy
• Molecular Formula: C₃₅H₆₁N₆O₉P
• Molecular Weight: 740.88
• CAS Registry Number: 94885-04-8
• SMILES: [C@@H](NC(=O)CCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12)([C@H](O)\C=C\CCCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C35H61N6O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-32(42)30(28-49-51(46,47)48-27-26-41(2,3)4)37-33(43)22-19-17-20-25-36-29-23-24-31(40(44)45)35-34(29)38-50-39-35/h18,21,23-24,30,32,42H,5-17,19-20,22,25-28H2,1-4H3,(H2-,36,37,39,43,46,47)/b21-18+/t30-,3
• InChIKey: YDBDYTGWMRUUSN-PERJAUJZSA-N