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Substance Name: WV 027
RN: 16809-76-0
InChIKey: HZTINOAUYLCSAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O3.C10-H8-O6-S2

Molecular Weight

  • 644.762
 
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Names and Synonyms

Results Name

  • WV 027

Synonym

  • WV 0027

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16809-76-0

System Generated Number

  • 0016809760

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O3.C10-H8-O6-S2

Molecular Formula Fragments

  • C10-H8-O6-S2
  • C21-H28-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2O3.C10H8O6S2/c1-14(2)17-13-19(15(3)12-20(17)25-11-10-23(4)5)26-21(24)16-8-6-7-9-18(16)22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-9,12-14H,10-11,22H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)

InChIKey

HZTINOAUYLCSAH-UHFFFAOYSA-N

Smiles

C(=O)(Oc1c(cc(c(c1)C(C)C)OCCN(C)C)C)c1ccccc1N.c1(cccc2c(cccc12)S(=O)(=O)O)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 50mg/kg (50mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.