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Substance Name: WV 805
RN: 16872-28-9
InChIKey: VOJVTXVKXNHCLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O3.C10-H8-O6-S2

Molecular Weight

  • 630.736
 
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Names and Synonyms

Results Name

  • WV 805

Synonym

  • WV 805

Systematic Name

  • Carvacrol, 5-(2-(dimethylamino)ethoxy)-, nicotinate (ester), compd. with 1,5-naphthalenedisulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 16872-28-9

System Generated Number

  • 0016872289

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O3.C10-H8-O6-S2

Molecular Formula Fragments

  • C10-H8-O6-S2
  • C20-H26-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O3.C10H8O6S2/c1-14(2)17-12-18(25-20(23)16-7-6-8-21-13-16)15(3)11-19(17)24-10-9-22(4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-8,11-14H,9-10H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)

InChIKey

VOJVTXVKXNHCLF-UHFFFAOYSA-N

Smiles

c1(c2cccc(c2ccc1)S(=O)(=O)O)S(=O)(=O)O.c1c(cccn1)C(=O)Oc1c(cc(c(c1)C(C)C)OCCN(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 30mg/kg (30mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.