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Substance Name: o-(((2-((2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl)(hydroxymethyl)amino)ethyl)amino)carbonyl)benzoic acid, compound with 2-aminoethanol (1:1)
RN: 100145-54-8
InChIKey: NJLMXFHUTCQDTG-UHFFFAOYSA-N

Molecular Formula

  • C21-H21-N3-O6.C2-H7-N-O

Molecular Weight

  • 472.4952
 
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Names and Synonyms

Synonym

  • EINECS 309-227-2

Systematic Name

  • o-(((2-((2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl)(hydroxymethyl)amino)ethyl)amino)carbonyl)benzoic acid, compound with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 100145-54-8

System Generated Number

  • 0100145548

Molecular Formulas

Molecular Formula

  • C21-H21-N3-O6.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C21-H21-N3-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21N3O6.C2H7NO/c25-13-23(10-9-22-18(26)14-5-1-4-8-17(14)21(29)30)11-12-24-19(27)15-6-2-3-7-16(15)20(24)28;3-1-2-4/h1-8,25H,9-13H2,(H,22,26)(H,29,30);4H,1-3H2

InChIKey

NJLMXFHUTCQDTG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)N(C2=O)CCN(CCNC(=O)c3ccccc3C(=O)O)CO.C(CO)N