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Substance Name: N-(N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-epsilon-aminohexanoyl)sphingosylphosphorylcholine
RN: 94885-04-8
InChIKey: YDBDYTGWMRUUSN-PERJAUJZSA-N

Molecular Formula

  • C35-H61-N6-O9-P

Molecular Weight

  • 740.8739
 
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Names and Synonyms

Name of Substance

  • N-(N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-epsilon-aminohexanoyl)sphingosylphosphorylcholine

Synonyms

  • 4-Hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-14-((7-nitro-4-benzofurazanyl)amino)-9-oxo-3,5-dioxo-8-aza-4-phosphatetradecan-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-
  • C6-Nbd-SM

Systematic Name

  • 3,5-Dioxo-8-aza-4-phosphatetradecan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-14-((7-nitro-4-benzofurazanyl)amino)-9-oxo-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 94885-04-8

System Generated Number

  • 0094885048

Structure Descriptors

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-,32+/m0/s1

InChIKey

YDBDYTGWMRUUSN-PERJAUJZSA-N

Smiles

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCNc1ccc(c2c1non2)[N+](=O)[O-])O