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(±)-Octanoylcarnitine chloride

CAT: 0607-B6371-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6371-50Size:50 mg
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Description
A homolog of acetylcarnitine chloride
CAS Number
14919-35-8
Product Name Alternative
3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium chloride
Field of Research
Metabolism Lipid Metabolism
Purity
0.98
Form
A solid
Solubility
≥36.9 mg/mL in DMSO; ≥18.6 mg/mL in EtOH; ≥37.4 mg/mL in H2O
Smiles
O=C(CCCCCCC)OC(CC(O)=O)C[N+](C)(C)C.[Cl-]
Molecular Formula
C15H30ClNO4
Molecular Weight
323.86
Shipping Conditions
Room Temperature
Storage Conditions
Store at -20°C.

Chemical Information

Octanoylcarnitine chloride
CAS Number14919-35-8
PubChem CID177508
IUPAC Name(3-carboxy-2-octanoyloxypropyl)-trimethylazanium chloride
Molecular FormulaC15H30ClNO4
Molecular Weight323.85
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count21
Formal Charge0
Complexity297
SMILES
CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C15H29NO4.ClH/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4;/h13H,5-12H2,1-4H3;1H
InChIKey
MYMFUYYXIJGKKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanoylcarnitine chloride
CAS: 14919-35-8
CID: 177508
Formula: C15H30ClNO4
MW: 323.85
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.85
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass323.1863361
Monoisotopic Mass323.1863361
Topological Polar Surface Area63.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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