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Substance Name: Esculin sodium
RN: 96997-92-1
UNII: 951F046A5J
InChIKey: ZVHOSRMJDHCBSF-QWFKVUSTSA-M

Molecular Formula

  • C15-H15-O9.Na

Molecular Weight

  • 362.2645
 
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Names and Synonyms

Name of Substance

  • Esculin sodium

Synonyms

  • 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-, monosodium salt
  • 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-, sodium salt (1:1)
  • Esculin sodium
  • Sodium, ((6-(glucosyloxy)-2-oxo-2H-1-benzopyran-7-yl)oxy)-
  • UNII-951F046A5J

Registry Numbers

CAS Registry Number

  • 96997-92-1

FDA UNII

  • 951F046A5J

System Generated Number

  • 0096997921

Structure Descriptors

InChI

1S/C15H16O9.Na/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;/q;+1/p-1/t10-,12-,13+,14-,15-;/m1./s1

InChIKey

ZVHOSRMJDHCBSF-QWFKVUSTSA-M

Smiles

c1cc(=O)oc2c1cc(c(c2)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O.[Na+]