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Substance Name: PG-545
RN: 1144492-69-2
UNII: 99N289ZQ8L
InChIKey: PHIUHBOJEMIHQZ-YAPWIAIGSA-A

Molecular Formula

  • C51-H75-O60-S13.13Na

Molecular Weight

  • 2363.8215
 
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Names and Synonyms

Name of Substance

  • PG-545

Synonyms

  • ((2R,3R,4S,5R,6R)-2-((2R,3R,4S,5R,6R)-6-((2R,3R,4S,5R,6R)-6-((2R,3R,4S,5R,6R)-6-(((3S,5S,8R,9S,10S,13R,14S,17R)-17-((1R)-1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-4,5-disu
  • beta-D-Glucopyranoside, (3beta,5alpha)-cholestan-3-yl O-2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranosyl-(1->4)-o-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-o-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-, 2,3,6-tris(hydrogen sulfate)
  • PG 545
  • PG-545
  • UNII-99N289ZQ8L

Registry Numbers

CAS Registry Number

  • 1144492-69-2

FDA UNII

  • 99N289ZQ8L

System Generated Number

  • 1144492692

Structure Descriptors

InChI

1S/C51H88O60S13.13Na/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63;;;;;;;;;;;;;/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;;;;;;;;/q;13*+1/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-;;;;;;;;;;;;;/m1............./s1

InChIKey

PHIUHBOJEMIHQZ-YAPWIAIGSA-A

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]8OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-]