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Substance Name: 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital
RN: 72209-11-1
InChIKey: JOHOCAZCFNMEFA-KWVHEEFFSA-N

Note

  • Urinary metabolite of phenobarbital.

Molecular Weight

  • 562.525
 
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Names and Synonyms

Name of Substance

  • 1-(2,3,4,6-Tetraacetyl-beta-D-glucopyranosyl)phenobarbital

Synonym

  • TAGPP

Systematic Name

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, (Z)-

Registry Numbers

CAS Registry Number

  • 72209-11-1

System Generated Number

  • 0072209111

Structure Descriptors

InChI

1S/C26H30N2O12/c1-6-26(17-10-8-7-9-11-17)23(33)27-25(35)28(24(26)34)22-21(39-16(5)32)20(38-15(4)31)19(37-14(3)30)18(40-22)12-36-13(2)29/h7-11,18-22H,6,12H2,1-5H3,(H,27,33,35)/t18-,19-,20+,21-,22-,26?/m1/s1

InChIKey

JOHOCAZCFNMEFA-KWVHEEFFSA-N

Smiles

C1(NC([C@@](C(N1[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O1)COC(=O)C)=O)(c1ccccc1)CC)=O)=O