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Substance Name: Isobutyryl-1-carnitine
RN: 25518-49-4
InChIKey: LRCNOZRCYBNMEP-SECBINFHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H21-N-O4

Molecular Weight

  • 231.29
 
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Names and Synonyms

Name of Substance

  • Isobutyryl-1-carnitine

Synonyms

  • BRN 4138517
  • Iso-butyryl-L(-)-carnitin
  • Iso-butyryl-L(-)-carnitin [German]
  • Isobutyryl-carnitine
  • Isobutyryl-L-carnitine

Systematic Names

  • (S)-3-Carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxopropoxy)-1-propanaminium, hydroxide, inner salt
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxopropoxy)-, inner salt, (R)- (9CI)
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, isobutyrate, L-

Registry Numbers

CAS Registry Number

  • 25518-49-4

System Generated Number

  • 0025518494

Structure Descriptors

InChI

1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1

InChIKey

LRCNOZRCYBNMEP-SECBINFHSA-N

Smiles

C([C@@H](CC(=O)[O-])OC(C(C)C)=O)[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 9600mg/kg (9600mg/kg)   Acta Biologica et Medica Germanica. Vol. 26, Pg. 1237, 1971.