5-Bromo-4-chloro-3-indolyl beta-d-glucuronide (CAS NO : 18656-89-8)

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Chemical Properties & Specifications

Canonical Smiles

C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O)Cl)Br

Inchi Key

DHJFFLKPAYHPHU-BYNIDDHOSA-N

Inchi

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

CAS Number

18656-89-8

Molecular Formula

C14H13BrClNO7

IUPAC

(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid