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Product Overview

Product Code

TRC-H293580

CAS Number

60438-73-5

Product Format

Neat

Molecular Formula

C27 H49 N3 O7 P . H O

Molecular Weight

575.68

Product Categories

TRC

Product Type

Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide

CAS Number

60438-73-5

Molecular Formula

C27 H49 N3 O7 P . H O

Molecular Weight

575.68

Accurate Mass

575.3336

SMILES

[OH-].CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2

IUPAC

2-[[2-(hexadecanoylamino)-4-nitrophenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium;hydroxide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

Product Description

Reported to be useful in detection and diagnosis of Niemann-Pick disease in humans.

References: Brady, R.O., et al.: Proc. Natl. Acad. Sci. USA, 55, 366 (1966), Gal, A.E., et al.: New England J. Med., 293, 632 (1975),

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2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine Hydroxide

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