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Substance Name: WV 799
RN: 73771-67-2
InChIKey: LSKRMLMFOBQHHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-Cl-N-C6.Cl-H

Molecular Weight

  • 530.485
 
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Names and Synonyms

Results Name

  • WV 799

Synonyms

  • 5-(2-((2-Chloroethyl)ethylamino)ethoxy)carvacrol 3,4,5-trimethoxybenzylate hydrochloride
  • WV 799

Systematic Name

  • Carvacrol, 5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, 3,4,5-trimethoxybenzylate, hydrochloride

Registry Numbers

CAS Registry Number

  • 73771-67-2

System Generated Number

  • 0073771672

Molecular Formulas

Molecular Formula

  • C26-H36-Cl-N-C6.Cl-H

Molecular Formula Fragments

  • C26-H36-Cl-N-C6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36ClNO6.ClH/c1-8-28(10-9-27)11-12-33-22-13-18(4)21(16-20(22)17(2)3)34-26(29)19-14-23(30-5)25(32-7)24(15-19)31-6;/h13-17H,8-12H2,1-7H3;1H

InChIKey

LSKRMLMFOBQHHM-UHFFFAOYSA-N

Smiles

c1(c(cc(OC(c2cc(c(OC)c(c2)OC)OC)=O)c(c1)C)C(C)C)OCC[N@@H+](CCCl)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 25mg/kg (25mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.