Product Identifiers
Catalog # | NX72029 |
PubChem CID | 66606790 |
Chemical Name | 6-Chloro-3-indolyl beta-D-glucuronide sodium salt |
IUPAC Name | sodium;(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate |
Synonym | Salmon-glucuronide sodium salt |
InChI | InChI=1S/C14H14ClNO7.Na/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21;/h1-4,9-12,14,16-19H,(H,20,21);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1 |
InChIKey | CJBOHCDHSUOGKP-CYRSAHDMSA-M |
SMILES | [Na+].O[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)ccc23)O[C@@H]([C@H]1O)C(=O)[O-] |
MDL Number | MFCD08273965 |
Specification
MW | 365.7 |
MF | C14H13ClNNaO7 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |