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Substance Name: 4-Mercaptobutyrylcarnitine chloride
RN: 83544-81-4
InChIKey: TXCBONHJNUFXER-SBSPUUFOSA-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

  • 4-Mercaptobutyrylcarnitine chloride

Synonyms

  • (R)-3-Carboxy-2-(4-mercapto-1-oxobutoxy)-N,N,N-trimethyl-1-propanaminium chloride
  • 4-Mercaptobutyryl carnitine chloride

Systematic Name

  • 1-Propanaminium, 3-carboxy-2-(4-mercapto-1-oxobutoxy)-N,N,N-trimethyl-, chloride, (R)-

Registry Numbers

CAS Registry Number

  • 83544-81-4

System Generated Number

  • 0083544814

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/c1-12(2,3)8-9(7-10(13)14)16-11(15)5-4-6-17;/h9H,4-8H2,1-3H3,(H-,13,14,17);1H/t9-;/m1./s1

InChIKey

TXCBONHJNUFXER-SBSPUUFOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 303mg/kg (303mg/kg)   British UK Patent Application. Vol. #2095676,