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Substance Name: BMS-184000
RN: 172146-75-7
UNII: LJ2E9D701E
InChIKey: UYRPEXVZURYOKO-CPHXCEEWSA-L

Molecular Formula

  • C61-H87-N-O17-S2.2Na

Molecular Weight

  • 1216.4603
 
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Names and Synonyms

Name of Substance

  • BMS-184000

Synonyms

  • BMS-184000
  • Hexadecanamide, N-((1S,2R,3E)-2-(benzoyloxy)-1-(((2,3-di-o-benzoyl-4,6-di-O-sulfo-alpha-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)-, disodium salt
  • Hexadecanamide, N-(2-(benzoyloxy)-1-(((2,3-di-o-benzoyl-4,6-di-O-sulfo-alpha-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)-, disodium salt, (R-(R*,S*-(E)))-
  • UNII-LJ2E9D701E

Registry Numbers

CAS Registry Number

  • 172146-75-7

FDA UNII

  • LJ2E9D701E

System Generated Number

  • 0172146757

Structure Descriptors

InChI

1S/C61H89NO17S2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-52(75-58(64)48-38-30-27-31-39-48)51(62-54(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)46-73-61-57(78-60(66)50-42-34-29-35-43-50)56(77-59(65)49-40-32-28-33-41-49)55(79-81(70,71)72)53(76-61)47-74-80(67,68)69;;/h27-36,38-44,51-53,55-57,61H,3-26,37,45-47H2,1-2H3,(H,62,63)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b44-36+;;/t51-,52+,53+,55-,56-,57+,61-;;/m0../s1

InChIKey

UYRPEXVZURYOKO-CPHXCEEWSA-L

Smiles

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)c2ccccc2)OC(=O)c3ccccc3)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)c4ccccc4.[Na+].[Na+]