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Substance Name: Venalot
RN: 39291-13-9
InChIKey: JKSAFKUPLFQKJW-BSXZHPLESA-N

Molecular Formula

  • C33-H42-O19.C9-H6-O2.x-H2-O4-S.x-Na

Molecular Weight

  • 1010.9
 
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Names and Synonyms

Name of Substance

  • Venalot

Synonym

  • Venalot

Systematic Names

  • 2H-1-Benzopyran-2-one mixt. with 2-(3,4-bis(2- hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L- mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5- hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one
  • 2H-1-Benzopyran-2-one, mixt. with 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-onehydrogen sulfate sodium salt

Registry Numbers

CAS Registry Number

  • 39291-13-9

System Generated Number

  • 0039291139

Molecular Formulas

Molecular Formula

  • C33-H42-O19.C9-H6-O2.x-H2-O4-S.x-Na

Molecular Formula Fragments

  • C33-H42-O19
  • C9-H6-O2
  • COMPONENT
  • H2-O4-S
  • Na

Structure Descriptors

InChI

1S/C33H42O19.C9H6O2.Na.H2O4S.H/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36;10-9-6-5-7-3-1-2-4-8(7)11-9;;1-5(2,3)4;/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3;1-6H;;(H2,1,2,3,4);/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-;;;;/m0..../s1

InChIKey

JKSAFKUPLFQKJW-BSXZHPLESA-N

Smiles

c1(c(c2cc(OCCO)c(cc2)OCCO)oc2cc(OCCO)cc(c2c1=O)O)O[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@H](O1)CO[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C)O.S(=O)(=O)(O)O.o1c(ccc2c1cccc2)=O.[Na]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Toxicology Letters. Vol. 15, Pg. 167, 1983.
rabbit LD50 oral 480mg/kg (480mg/kg)   Toxicology Letters. Vol. 15, Pg. 167, 1983.
rabbit LD50 parenteral 100mg/kg (100mg/kg)   Toxicology Letters. Vol. 15, Pg. 167, 1983.