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Substance Name: 2-Mercaptobutyrylcarnitine chloride
RN: 83544-85-8
InChIKey: DPBOGAGZYWBHIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N-O4-S.Cl

Molecular Weight

  • 299.8168
 
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Names and Synonyms

Results Name

  • 2-Mercaptobutyrylcarnitine chloride

Synonyms

  • 2-Mercaptobutyryl carnitine chloride
  • 3-Carboxy-2-(2-mercapto-1-oxopropoxy)-N,N,N-trimethyl-1-propanaminium chloride

Systematic Name

  • 1-Propanaminium, 3-carboxy-2-(2-mercapto-1-oxopropoxy)-N,N,N-trimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 83544-85-8

System Generated Number

  • 0083544858

Molecular Formulas

Molecular Formula

  • C11-H22-N-O4-S.Cl

Molecular Formula Fragments

  • C11-H22-N-O4-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C11H21NO4S.ClH/c1-5-9(17)11(15)16-8(6-10(13)14)7-12(2,3)4;/h8-9H,5-7H2,1-4H3,(H-,13,14,17);1H

InChIKey

DPBOGAGZYWBHIY-UHFFFAOYSA-N

Smiles

CCC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)S.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 294mg/kg (294mg/kg)   British UK Patent Application. Vol. #2095676,