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Substance Name: TJN 505
RN: 141426-86-0
InChIKey: OTWHFNPJXVKZPR-UHFFFAOYSA-N

Molecular Formula

  • C30-H41-N-O7.Cl-H

Molecular Weight

  • 564.1148
 
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Names and Synonyms

Name of Substance

  • TJN 505

Synonyms

  • 1,16-Dimethoxy-20-ethyl-14-(4-methoxybenzoyloxy)aconitan-8,13-diol hydrochloride
  • Contortumine hydrochloride
  • TJN-505

Systematic Name

  • Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, 14-(4-methoxybenzoate), hydrochloride, (1alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 141426-86-0

System Generated Number

  • 0141426860

Molecular Formulas

Molecular Formula

  • C30-H41-N-O7.Cl-H

Molecular Formula Fragments

  • C30-H41-N-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H41NO7.ClH/c1-5-31-15-17-8-11-22(36-3)30-19(17)12-20(25(30)31)28(33)14-23(37-4)29(34)13-21(30)24(28)26(29)38-27(32)16-6-9-18(35-2)10-7-16;/h6-7,9-10,17,19-26,33-34H,5,8,11-15H2,1-4H3;1H

InChIKey

OTWHFNPJXVKZPR-UHFFFAOYSA-N

Smiles

Cl.CCN1CC2CCC(OC)C34C2CC(C13)C5(O)CC(OC)C6(O)CC4C5C6OC(=O)c7ccc(OC)cc7