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Substance Name: Dotriacolide sodium
RN: 81131-98-8
InChIKey: RYIFSWDKUAMXKZ-SOJCWDOZSA-J

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C40-H76-O18-S4.4Na

Molecular Weight

  • 1061.2148
 
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Names and Synonyms

Results Name

  • Dotriacolide sodium

Synonym

  • Dotriacolide sodium

Systematic Name

  • Oxacyclodotriacont-3-en-2-one, 16,18,30-tris(sulfooxy)-32-(8-(sulfooxy)nonyl)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 81131-98-8

System Generated Number

  • 0081131988

Molecular Formulas

Molecular Formula

  • C40-H76-O18-S4.4Na

Molecular Formula Fragments

  • C40-H76-O18-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H76O18S4.4Na/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36;;;;/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4/b32-26-;;;;

InChIKey

RYIFSWDKUAMXKZ-SOJCWDOZSA-J

Smiles

CC(CCCCCCCC1CC(CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C\C(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 250mg/kg (250mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1628, 1981.
mouse LD50 intravenous 180ug/kg (0.18mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1628, 1981.