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Substance Name: 5-Bromo-4-chloro-3-indolylglucuronide
RN: 18656-89-8
InChIKey: DHJFFLKPAYHPHU-ZAOAHOKWSA-N

Molecular Formula

  • C14-H13-Br-Cl-N-O7

Molecular Weight

  • 422.614
 
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Names and Synonyms

Name of Substance

  • 5-Bromo-4-chloro-3-indolylglucuronide

Synonyms

  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
  • Bci-3 glud

Systematic Name

  • Glucopyranosiduronic acid, 5-bromo-4-chloroindol-3-yl, beta-D-

Registry Numbers

CAS Registry Number

  • 18656-89-8

System Generated Number

  • 0018656898

Structure Descriptors

InChI

1S/C14H13BrClNO7/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14?/m0/s1

InChIKey

DHJFFLKPAYHPHU-ZAOAHOKWSA-N

Smiles

O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c1c[nH]c2ccc(c(c12)Cl)Br