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Substance Name: 1-(2-Amino-4-(5-nitro-2-furyl)-2-thiazolyl)-1-deoxyglucopyranuronic acid
RN: 131579-68-5
InChIKey: UNZPLCRPWDUWLK-QUARPLMYSA-N

Note

  • Metabolite of 2-amino-4-(5-nitro-2-furyl)thiazole (ANFT).

Molecular Formula

  • C13-H13-N3-O9-S

Molecular Weight

  • 387.324
 
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Names and Synonyms

Name of Substance

  • 1-(2-Amino-4-(5-nitro-2-furyl)-2-thiazolyl)-1-deoxyglucopyranuronic acid

Synonyms

  • 1-(2-Amino-4-(5-nitro-2-furyl)-2-thiazolyl)-1-deoxy-beta-D-glucopyranuronic acid
  • 1-Anftdg

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-deoxy-1-((4-(5-nitro-2-furanyl)-2-thiazolyl)amino)-

Registry Numbers

CAS Registry Number

  • 131579-68-5

System Generated Number

  • 0131579685

Structure Descriptors

InChI

1S/C13H13N3O9S/c17-7-8(18)10(12(20)21)25-11(9(7)19)15-13-14-4(3-26-13)5-1-2-6(24-5)16(22)23/h1-3,7-11,17-19H,(H,14,15)(H,20,21)/t7-,8-,9+,10-,11+/m0/s1

InChIKey

UNZPLCRPWDUWLK-QUARPLMYSA-N

Smiles

c1c(oc(c1)c1csc(N[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(=O)O)n1)[N+](=O)[O-]