Polyanetholesulfonic acid sodium salt

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
237.5°C 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
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
251.03539932 g/mol
Monoisotopic Mass
251.03539932 g/mol
Topological Polar Surface Area
91.6Ų
Heavy Atom Count
16
Formal Charge
-1
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
1
Covalently-Bonded Unit Count
3
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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