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Substance Name: N-12-(Anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine
RN: 77840-25-6
InChIKey: ITWJXTYRJNIDBW-SVZIEULHSA-N

Molecular Formula

  • C49-H77-N2-O6-P

Molecular Weight

  • 821.1293
 
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Names and Synonyms

Name of Substance

  • N-12-(Anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine

Synonyms

  • 12-Adspc
  • 20-(9-Anthracenyl)-4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphaeicos-19-en-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E,E)))-

Systematic Name

  • 3,5-Dioxa-8-aza-4-phosphaeicos-19-en-1-aminium, 20-(9-anthracenyl)-4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E,E)))-

Registry Numbers

CAS Registry Number

  • 77840-25-6

System Generated Number

  • 0077840256

Structure Descriptors

InChI

1S/C49H77N2O6P/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-36-48(52)47(41-57-58(54,55)56-39-38-51(2,3)4)50-49(53)37-26-23-20-17-14-15-18-21-24-35-46-44-33-29-27-31-42(44)40-43-32-28-30-34-45(43)46/h24-25,27-36,40,47-48,52H,5-23,26,37-39,41H2,1-4H3,(H-,50,53,54,55)/b35-24+,36-25+/t47-,48+/m0/s1

InChIKey

ITWJXTYRJNIDBW-SVZIEULHSA-N

Smiles

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C/c1c2ccccc2cc3c1cccc3)O