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Substance Name: Sulfodehydroabietic acid calcium salt
RN: 86408-75-5
InChIKey: ARDPVXCPTNGYGN-PQRDQDNSSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-O5-S.Ca

Molecular Weight

  • 418.5644
 
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Names and Synonyms

Results Name

  • Sulfodehydroabietic acid calcium salt

Synonym

  • Sulfodehydroabietic acid calcium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86408-75-5

System Generated Number

  • 0086408755

Molecular Formulas

Molecular Formula

  • C20-H26-O5-S.Ca

Molecular Formula Fragments

  • C20-H26-O5-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28O5S.Ca/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+2/p-2/t17-,19-,20+;/m0./s1

InChIKey

ARDPVXCPTNGYGN-PQRDQDNSSA-L

Smiles

CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@@]3(CCC[C@@]([C@H]3CC2)(C)C(=O)[O-])C.[Ca+2]

Toxicity

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