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Substance Name: 2-Propanol, 1-(2-((4-(dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-((1,1-dimethylethyl)amino)-, (E)-2-butenedioate
RN: 126661-37-8
InChIKey: PWAPMKSOFDNIAC-WLHGVMLRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H32-N2-O3.C4-H4-O4

Molecular Weight

  • 512.599
 
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Names and Synonyms

Synonym

  • 1-(2-((4-(Dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-(t-butylamino)-2-propanol fumarate

Systematic Name

  • 2-Propanol, 1-(2-((4-(dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-((1,1-dimethylethyl)amino)-, (E)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 126661-37-8

System Generated Number

  • 0126661378

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C24-H32-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O3.C4H4O4/c1-24(2,3)25-16-21(27)17-29-23-15-22(28-6)14-11-19(23)10-7-18-8-12-20(13-9-18)26(4)5;5-3(6)1-2-4(7)8/h8-9,11-15,21,25,27H,16-17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PWAPMKSOFDNIAC-WLHGVMLRSA-N

Smiles

c1(ccc(c(OC[C@@H](O)CNC(C)(C)C)c1)C#Cc1ccc(cc1)N(C)C)OC.OC(\C=C\C(=O)O)=O