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Substance Name: 2-Propanol, 1-(2-((4-(diethylamino)phenyl)ethynyl)phenoxy)-3-((1,1-dimethyl)ethyl)amino-, (E)-2-butenedioate (1:1)
RN: 126661-24-3
InChIKey: JJHVJPRLEBXTQK-WLHGVMLRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C25-H34-N2-O2.C4-H4-O4

Molecular Weight

  • 510.627
 
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Names and Synonyms

Synonym

  • 1-(2-((4-(Diethylamino)phenyl)ethynyl)phenoxy)-3-(t-butylamino)-2-propanol fumarate

Systematic Name

  • 2-Propanol, 1-(2-((4-(diethylamino)phenyl)ethynyl)phenoxy)-3-((1,1-dimethyl)ethyl)amino-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 126661-24-3

System Generated Number

  • 0126661243

Molecular Formulas

Molecular Formula

  • C25-H34-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C25-H34-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N2O2.C4H4O4/c1-6-27(7-2)22-16-13-20(14-17-22)12-15-21-10-8-9-11-24(21)29-19-23(28)18-26-25(3,4)5;5-3(6)1-2-4(7)8/h8-11,13-14,16-17,23,26,28H,6-7,18-19H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JJHVJPRLEBXTQK-WLHGVMLRSA-N

Smiles

C(Oc1c(C#Cc2ccc(cc2)N(CC)CC)cccc1)[C@@H](CNC(C)(C)C)O.OC(=O)\C=C\C(=O)O