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2364-67-2

2364-67-2 structural image
Product Name: PALMITOYL CARNITINE
Formula: C23H45NO4
Synonyms: (2R)-3-Carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-1-propanaminium inner salt;L-Carnitine hexadecanoyl ester;C16-Carnitine;Hexadecanoyl-L-carnitine
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 214 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 399.6 g/mol
XLogP3 7.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 19
Exact Mass 399.33485892 g/mol
Monoisotopic Mass 399.33485892 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 398
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

O-palmitoyl-L-carnitine is an O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a human metabolite and a mouse metabolite. It is an O-palmitoylcarnitine and a saturated fatty acyl-L-carnitine. It is functionally related to a hexadecanoic acid.