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Steroids and sterols

PG-545

Also known as Pixatimod sodium, PG 545, PG545 cpd

CAS 1144492-69-2Formula C51H75Na13O60S13Molar mass 2,363.84 g/mol
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PG-545 chemical structure, C51H75Na13O60S13, CAS 1144492-69-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1144492-69-2
Formula
C51H75Na13O60S13
Molar mass
2,363.84 g/mol
HS code
293890
Category
Steroids and sterols

What is PG-545?

Plain description, key identifiers and synonyms

PG-545 is a chemical substance with the molecular formula C51H75Na13O60S13 and a molar mass of 2,363.84 g/mol. Its CAS registry number is 1144492-69-2. The IUPAC name is tridecasodium, [(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)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
tridecasodium, [(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)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
CAS number
1144492-69-2
Molecular formula
C51H75Na13O60S13
UNII
99N289ZQ8L
InChIKey
PHIUHBOJEMIHQZ-YAPWIAIGSA-A
InChI
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
Canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(OC5OC(COS(=O)(=O)[O-])C(OC6OC(COS(=O)(=O)[O-])C(OC7OC(COS(=O)(=O)[O-])C(OC8OC(COS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C8OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C7OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C6OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C5OS(=O)(=O)[O-])CCC4(C)C3CCC12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COS(=O)(=O)[O-])O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COS(=O)(=O)[O-])O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Synonyms

  • Pixatimod sodium
  • PG 545
  • PG545 cpd

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
2,363.84 g/molcalc.
Exact mass
2,361.7857 Dacalc.
LogP (octanol/water)
-46.88calc.
Topological polar surface area
937.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
60calc.
Rotatable bonds
43calc.
Heavy atoms
137calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
29calc.
Components
14calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(OC2CCC(OC3CCC(OC4CCC(OC5CCC6C(CCC7C8CCCC8CCC67)C5)OC4)OC3)OC2)OC1

C1CCC(OC2CCC(OC3CCC(OC4CCC(OC5CCC6C(CCC7C8CCCC8CCC67)C5)OC4)OC3)OC2)OC1

8 rings, 45 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PG-545 suppliers

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PG-545 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PG-545 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PG-545 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PG-545, based on the data on this page

What is PG-545?

PG-545 is a chemical substance with the molecular formula C51H75Na13O60S13 and a molar mass of 2,363.84 g/mol. Its CAS registry number is 1144492-69-2.

What is the CAS number of PG-545?

The CAS registry number of PG-545 is 1144492-69-2.

What is the molecular formula and weight of PG-545?

The molecular formula of PG-545 is C51H75Na13O60S13 and its molar mass is 2,363.84 g/mol.

Is PG-545 hazardous?

No GHS hazard classification for PG-545 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PG-545?

PG-545 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PG-545?

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What is the price of PG-545?

Suppliers quote PG-545 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PG-545

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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