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Substance Name: Sulfodehydroabietic acid disodium salt
RN: 86408-71-1
InChIKey: PNDTYRBGLSFENN-BHBOXIKLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H26-O5-S.2Na
  • C20-H28-O5-S.2Na

Molecular Weight

  • 425.474
 
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Names and Synonyms

Results Name

  • Sulfodehydroabietic acid disodium salt

Synonyms

  • Sulfodehydroabietic acid disodium salt
  • TA-2711 disodium salt

Systematic Name

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4-dimethyl-7-(1-methylethyl)-6-sulfo-, disodium salt, (1R-(1-alpha,4a-beta,10a-alpha))-

Registry Numbers

CAS Registry Number

  • 86408-71-1

System Generated Number

  • 0086408711

Molecular Formulas

Molecular Formulas

  • C20-H26-O5-S.2Na
  • C20-H28-O5-S.2Na

Molecular Formula Fragments

  • C20-H26-O5-S
  • C20-H28-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H28O5S.2Na/c1-12(2)15-10-13-7-8-16-14(19(21)25-4)6-5-9-20(16,3)17(13)11-18(15)26(22,23)24;;/h10-12,14,16H,5-9H2,1-4H3,(H,22,23,24);;/q;2*+1/p-1/t14-,16-,20-;;/m1../s1

InChIKey

PNDTYRBGLSFENN-BHBOXIKLSA-M

Smiles

[Na+].C1[C@H]([C@H]2CCc3cc(c(cc3[C@@]2(CC1)C)S(=O)(=O)[O-])C(C)C)C(=O)OC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4529602,