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Substance Name: 4-Hydroxy-4-androstene-3,17-dione glucuronide
RN: 102848-54-4
InChIKey: JIKFCHILHFFTSH-NRIFOQJISA-N

Note

  • Urinary metabolite in human & biliary metabolite in rat.

Molecular Weight

  • 478.535
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-4-androstene-3,17-dione glucuronide

Synonyms

  • 4-Hadg
  • 4-Hydroxyandrost-4-ene-3,17-dione glucuronide
  • 4-Hydroxyandrostenedione glucuronide
  • Had-glucuronide

Registry Numbers

CAS Registry Number

  • 102848-54-4

System Generated Number

  • 0102848544

Structure Descriptors

InChI

1S/C25H34O9/c1-24-10-8-15(26)20(33-23-19(30)17(28)18(29)21(34-23)22(31)32)14(24)4-3-11-12-5-6-16(27)25(12,2)9-7-13(11)24/h11-13,17-19,21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11?,12?,13?,17-,18-,19+,21-,23+,24+,25-/m0/s1

InChIKey

JIKFCHILHFFTSH-NRIFOQJISA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)C=1C(CC[C@@]2([C@@H]3CC[C@@]4(C(CC[C@@H]4[C@@H]3CCC12)=O)C)C)=O