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Substance Name: Epetraborole R-mandelate
RN: 1234563-15-5
UNII: VG9GE7GB3F
InChIKey: GKQOYBLEEYTDIB-DEZAYANASA-N

Molecular Formula

  • C11-H16-B-N-O4.C8-H8-O3

Molecular Weight

  • 389.2096
 
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Names and Synonyms

Name of Substance

  • Epetraborole R-mandelate

Synonyms

  • Benzeneacetic acid, alpha-hydroxy-, (alphaR)-, compd. with 3-(((3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)oxy)-1-propanol (1:1)
  • Epetraborole R-mandelate
  • UNII-VG9GE7GB3F

Registry Numbers

CAS Registry Number

  • 1234563-15-5

FDA UNII

  • VG9GE7GB3F

System Generated Number

  • 1234563155

Structure Descriptors

InChI

1S/C11H16BNO4.C8H8O3/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;9-7(8(10)11)6-4-2-1-3-5-6/h1,3-4,10,14-15H,2,5-7,13H2;1-5,7,9H,(H,10,11)/t10-;7-/m11/s1

InChIKey

GKQOYBLEEYTDIB-DEZAYANASA-N

Smiles

B1(c2c(cccc2OCCCO)[C@H](O1)CN)O.c1ccc(cc1)[C@H](C(=O)O)O