Polyanetholesulfonic acid sodium salt

Inquiry

Molecular Formula:

C10H12NaO4S-

Molecular Weight:

251.254649

CAS Number:

55963-78-5

Catalog Number:

55963-78-5

Product Information

Molecular Formula:

C10H12NaO4S-

Molecular Weight:

251.254649

Description

A compound originally developed as an anticoagulant, but possessing anticomplement action and lowering the bactericidal action of blood. It is used in vitro to inhibit blood coagulation and as a diagnostic reagent to encourage the growth of pathogens in the blood. It is also used to stabilize colloidal solutions such as milk and gelatin.

Synonyms

Sodium polyanetholesulfonate

IUPAC Name

sodium1-methoxy-4-prop-1-enylbenzenesulfite

Canonical SMILES

CC=CC1=CC=C(C=C1)OC.[O-]S(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O.Na.H2O3S/c1-3-4-9-5-7-10(11-2)8-6-9;;1-4(2)3/h3-8H,1-2H3;;(H2,1,2,3)/q;+1;/p-2/b4-3+;;

InChI Key

JKJBFNAERWARKW-CZEFNJPISA-L

Boiling Point

237.5ºC at 760 mmHg

Purity

95%

Application

Anticoagulant.

Safety Information

Hazards

H315 H319 H335

Precautionary Statement

P261 P305+P351+P338

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

251.03539932 g/mol

Monoisotopic Mass

251.03539932 g/mol

Topological Polar Surface Area

91.6Å²

Heavy Atom Count

Formal Charge

-1

Complexity

140

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Literatures

PMID	Publication Date	Title	Journal
20711446	2010-08-11	Expanding the diagnostic use of PCR in leptospirosis: improved method for DNA extraction from blood cultures	PloS one
11791670	2001-01-01	Staphylococcus aureus requires increased level of Ca(2+) or Mn(2+) to grow normally in a high-NaCl/low-Mg(2+) medium	Microbiology and immunology
6066602	1967-08-15	Intravascular coagulation with generalized Shwartzman reaction induced by a heparin-like anticoagulant (Liquoid)	Thrombosis et diathesis haemorrhagica

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

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