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Substance Name: 2-(1-Hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran glucuronide
RN: 72142-73-5
InChIKey: WEOVSIBZCGHNQQ-OARHJJEASA-N

Note

  • Metabolite of befunolol.

Molecular Weight

  • 469.484
 
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Names and Synonyms

Name of Substance

  • 2-(1-Hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran glucuronide

Synonym

  • 2-MIG

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 2-((2-(1-hydroxyethyl)-7-benzofuranyl)oxy)-1-(((1-methylethyl)amino)methyl)ethyl

Registry Numbers

CAS Registry Number

  • 72142-73-5

System Generated Number

  • 0072142735

Structure Descriptors

InChI

1S/C22H31NO10/c1-10(2)23-8-13(31-22-18(27)16(25)17(26)20(33-22)21(28)29)9-30-14-6-4-5-12-7-15(11(3)24)32-19(12)14/h4-7,10-11,13,16-18,20,22-27H,8-9H2,1-3H3,(H,28,29)/t11?,13?,16-,17-,18+,20-,22+/m0/s1

InChIKey

WEOVSIBZCGHNQQ-OARHJJEASA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@H](COc1cccc2cc(oc12)[C@@H](C)O)CNC(C)C