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Substance Name: TA 078
RN: 85915-86-2
InChIKey: IGSWJKUKCNMFDT-SFQUDFHCSA-N

Molecular Formula

  • C18-H23-N-O4.1/2C4-H4-O4

Molecular Weight

  • 415.4395
 
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Names and Synonyms

Name of Substance

  • TA 078

Synonyms

  • (3,4-Dimethoxyphenethylaminomethyl)-2-hydroxybenzyl alcohol fumarate
  • TA-078

Systematic Name

  • Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-2-hydroxy-, (-)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 85915-86-2

System Generated Number

  • 0085915862

Molecular Formulas

Molecular Formula

  • C18-H23-N-O4.1/2C4-H4-O4

Molecular Formula Fragments

  • C18-H23-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO7/c1-28-19-8-7-15(11-20(19)29-2)9-10-23-13-17(12-21(25)26)22(27)30-14-16-5-3-4-6-18(16)24/h3-8,11-12,23-24H,9-10,13-14H2,1-2H3,(H,25,26)/b17-12+

InChIKey

IGSWJKUKCNMFDT-SFQUDFHCSA-N

Smiles

COc1ccc(cc1OC)CCNC/C(=C\C(=O)O)/C(=O)OCc2ccccc2O