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Substance Name: Watanipidine monohydrochloride
RN: 116308-56-6
InChIKey: HEKGFDAQKCYYLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H42-N4-O6.Cl-H

Molecular Weight

  • 723.2657
 
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Names and Synonyms

Name of Substance

  • Watanipidine monohydrochloride

Synonym

  • Watanipidine HCl

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 116308-56-6

System Generated Number

  • 0116308566

Molecular Formulas

Molecular Formula

  • C41-H42-N4-O6.Cl-H

Molecular Formula Fragments

  • C41-H42-N4-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C41H42N4O6.ClH/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32;/h4-20,27,38-39,42H,21-26H2,1-3H3;1H

InChIKey

HEKGFDAQKCYYLS-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccc(c6)[N+](=O)[O-])C(=O)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4886819,