60438-73-5 , HDA-PC,2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide

60438-73-5 , HDA-PC,2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide;
2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-ethanaminium hydroxide; HDA-PC
C27H50N3O8P / 575.68
MFCD00051274

HDA-PC,2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide

2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-ethanaminium hydroxide; HDA-PC

The 2-(N-hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide is a fluorogenic substrate. It is used in food testing, staining, and environmental testing. The 2-(N-hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide conjugate is used for enzyme substrate and diagnostics.

Indicator used in the detection and diagnosis of Niemann-Pick disease. Synthetic chromogenic analog of sphingomyelin which selectively measures the activity of acid sphingomyelinase (ASM). The production of ASM is inhibited in Niemann-Pick disease, allowing sphingomyelin to accumulate in the organs of affected persons.

CAS Number	60438-73-5
Product Name	2-Hexadecanoylamino-4-nitrophenylphosphorylcholine
IUPAC Name	2-[[2-(hexadecanoylamino)-4-nitrophenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium;hydroxide
Molecular Formula	C27H49N3O7P+
Molecular Weight	575.7 g/mol
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
InChI Key	CDTKXKMMWVIQDN-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C.[OH-]
Synonyms	2-hexadecanoylamino-4-nitrophenylphosphocholine, 2-hexadecanoylamino-4-nitrophenylphosphorylcholine, 2-N-(hexadecanoyl)-amino-4-nitrophenylphosphorylcholine, HDA-PC, HDANPPcholine, HNP cpd
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C.[OH-]