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Substance Name: 5-(F-Octyl)-pentanoyl carnitine
RN: 142674-36-0
InChIKey: REJPMZDEYKRFJA-UHFFFAOYSA-N

Molecular Formula

  • C20-H22-F17-N-O4

Molecular Weight

  • 663.3628
 
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Names and Synonyms

Results Name

  • 5-(F-Octyl)-pentanoyl carnitine

Synonyms

  • 5-(F-Octyl)-pentanoyl carnitine
  • BRN 4898715

Systematic Name

  • 1-Propanaminium, 3-carboxy-2-((6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-1-oxotridecyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt (+-)-

Registry Numbers

CAS Registry Number

  • 142674-36-0

System Generated Number

  • 0142674360

Structure Descriptors

InChI

1S/C20H22F17NO4/c1-38(2,3)9-10(8-11(39)40)42-12(41)6-4-5-7-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h10H,4-9H2,1-3H3

InChIKey

REJPMZDEYKRFJA-UHFFFAOYSA-N

Smiles

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 953, 1991.